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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbonyl compound > 4-bromo-n-[(2,8-dimethyl-3,4,4a,9b-tetrahydro-1h-pyrido[4,3-b]indol-5-yl)-sulfanylidenemethyl]benzamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > 4-bromo-n-[(2,8-dimethyl-3,4,4a,9b-tetrahydro-1h-pyrido[4,3-b]indol-5-yl)-sulfanylidenemethyl]benzamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > 4-bromo-n-[(2,8-dimethyl-3,4,4a,9b-tetrahydro-1h-pyrido[4,3-b]indol-5-yl)-sulfanylidenemethyl]benzamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > 4-bromo-n-[(2,8-dimethyl-3,4,4a,9b-tetrahydro-1h-pyrido[4,3-b]indol-5-yl)-sulfanylidenemethyl]benzamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > 4-bromo-n-[(2,8-dimethyl-3,4,4a,9b-tetrahydro-1h-pyrido[4,3-b]indol-5-yl)-sulfanylidenemethyl]benzamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > halogen molecular entity > halide > organohalogen compound > 4-bromo-n-[(2,8-dimethyl-3,4,4a,9b-tetrahydro-1h-pyrido[4,3-b]indol-5-yl)-sulfanylidenemethyl]benzamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organohalogen compound > 4-bromo-n-[(2,8-dimethyl-3,4,4a,9b-tetrahydro-1h-pyrido[4,3-b]indol-5-yl)-sulfanylidenemethyl]benzamide

Preferred term

4-bromo-n-[(2,8-dimethyl-3,4,4a,9b-tetrahydro-1h-pyrido[4,3-b]indol-5-yl)-sulfanylidenemethyl]benzamide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C21H22BrN3OS

inchi

  • InChI=1S/C21H22BrN3OS/c1-13-3-8-18-16(11-13)17-12-24(2)10-9-19(17)25(18)21(27)23-20(26)14-4-6-15(22)7-5-14/h3-8,11,17,19H,9-10,12H2,1-2H3,(H,23,26,27)

inchikey

  • PIZSXFVKTPLNGH-UHFFFAOYSA-N

mass

  • 444.389

monoisotopicmass

  • 443.06670

smiles

  • CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=S)NC(=O)C4=CC=C(C=C4)Br

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:121963

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