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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > quinolines > 3-butan-2-yl-1-[(6,7-dimethoxy-2-oxo-1h-quinolin-3-yl)methyl]-1-(2-phenylethyl)thiourea
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > quinolines > 3-butan-2-yl-1-[(6,7-dimethoxy-2-oxo-1h-quinolin-3-yl)methyl]-1-(2-phenylethyl)thiourea
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > quinolines > 3-butan-2-yl-1-[(6,7-dimethoxy-2-oxo-1h-quinolin-3-yl)methyl]-1-(2-phenylethyl)thiourea
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > quinolines > 3-butan-2-yl-1-[(6,7-dimethoxy-2-oxo-1h-quinolin-3-yl)methyl]-1-(2-phenylethyl)thiourea

Preferred term

3-butan-2-yl-1-[(6,7-dimethoxy-2-oxo-1h-quinolin-3-yl)methyl]-1-(2-phenylethyl)thiourea  

Type

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

Broader concept

charge

  • 0

formula

  • C25H31N3O3S

inchi

  • InChI=1S/C25H31N3O3S/c1-5-17(2)26-25(32)28(12-11-18-9-7-6-8-10-18)16-20-13-19-14-22(30-3)23(31-4)15-21(19)27-24(20)29/h6-10,13-15,17H,5,11-12,16H2,1-4H3,(H,26,32)(H,27,29)

inchikey

  • YAZOIIMRVUPEOT-UHFFFAOYSA-N

mass

  • 453.599

monoisotopicmass

  • 453.20861

smiles

  • CCC(C)NC(=S)N(CCC1=CC=CC=C1)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:117269

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