2-[(3-chlorophenyl)methylsulfanyl]-N-(3,4-dimethoxyphenyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-(3,4-dimethoxyphenyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-(3,4-dimethoxyphenyl)-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-[(3-chlorophenyl)methylthio]-N-(3,4-dimethoxyphenyl)-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-(3,4-dimethoxyphenyl)-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: 2-[(3-chlorobenzyl)thio]-N-(3,4-dimethoxyphenyl)-4-keto-3-phenethyl-quinazoline-7-carboxamide Formula: C32H28ClN3O4S MolecularWeight: 586.10042

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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)SCC4=CC(=CC=C4)Cl)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)SCC4=CC(=CC=C4)Cl)CCC5=CC=CC=C5)OC

InChI

InChI=1S/C32H28ClN3O4S/c1-39-28-14-12-25(19-29(28)40-2)34-30(37)23-11-13-26-27(18-23)35-32(41-20-22-9-6-10-24(33)17-22)36(31(26)38)16-15-21-7-4-3-5-8-21/h3-14,17-19H,15-16,20H2,1-2H3,(H,34,37)