3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxamide

Systemtic Name: 3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxamide Openeye Name: 3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxo-2-phenacylsulfanyl-quinazoline-7-carboxamide CAS Name: 3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxo-2-(phenacylthio)-7-quinazolinecarboxamide IUPAC Name: 3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxo-2-phenacylsulfanylquinazoline-7-carboxamide Traditional Name: 3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-keto-2-(phenacylthio)quinazoline-7-carboxamide Formula: C31H31N3O5S MolecularWeight: 557.65994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5CCCCC5)OC

InChI

InChI=1S/C31H31N3O5S/c1-38-27-16-14-22(18-28(27)39-2)32-29(36)21-13-15-24-25(17-21)33-31(34(30(24)37)23-11-7-4-8-12-23)40-19-26(35)20-9-5-3-6-10-20/h3,5-6,9-10,13-18,23H,4,7-8,11-12,19H2,1-2H3,(H,32,36)