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

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-phenacylsulfanyl-3-phenyl-quinazoline-7-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-4-oxo-2-phenacylsulfanyl-3-phenyl-quinazoline-7-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-4-oxo-2-(phenacylthio)-3-phenyl-7-quinazolinecarboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-4-oxo-2-phenacylsulfanyl-3-phenylquinazoline-7-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-keto-2-(phenacylthio)-3-phenyl-quinazoline-7-carboxamide Formula: C31H25N3O5S MolecularWeight: 551.6123

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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)C5=CC=CC=C5)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)C5=CC=CC=C5)OC

InChI

InChI=1S/C31H25N3O5S/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/h3-18H,19H2,1-2H3,(H,32,36)