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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > thiocarbonyl compound > thioureas > 3-(4-fluorophenyl)-n-[[4-[(3-methoxy-2-pyrazinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-propenamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organosulfur compound > thiocarbonyl compound > thioureas > 3-(4-fluorophenyl)-n-[[4-[(3-methoxy-2-pyrazinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-propenamide

Preferred term

3-(4-fluorophenyl)-n-[[4-[(3-methoxy-2-pyrazinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-propenamide  

Type

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

Broader concept

charge

  • 0

formula

  • C21H18FN5O4S2

inchi

  • InChI=1S/C21H18FN5O4S2/c1-31-20-19(23-12-13-24-20)27-33(29,30)17-9-7-16(8-10-17)25-21(32)26-18(28)11-4-14-2-5-15(22)6-3-14/h2-13H,1H3,(H,23,27)(H2,25,26,28,32)

inchikey

  • JBFQKYANYGPRJY-UHFFFAOYSA-N

mass

  • 487.530

monoisotopicmass

  • 487.07842

smiles

  • COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)F

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:111431

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