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

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-phenacylsulfanyl-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-4-oxo-2-phenacylsulfanyl-3-phenethyl-quinazoline-7-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-4-oxo-2-(phenacylthio)-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-4-oxo-2-phenacylsulfanyl-3-phenethylquinazoline-7-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-keto-2-(phenacylthio)-3-phenethyl-quinazoline-7-carboxamide Formula: C33H29N3O5S MolecularWeight: 579.66546

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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)CCC5=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)CCC5=CC=CC=C5)OC

InChI

InChI=1S/C33H29N3O5S/c1-40-29-16-14-25(20-30(29)41-2)34-31(38)24-13-15-26-27(19-24)35-33(42-21-28(37)23-11-7-4-8-12-23)36(32(26)39)18-17-22-9-5-3-6-10-22/h3-16,19-20H,17-18,21H2,1-2H3,(H,34,38)