3-(3-methoxyphenyl)-N-methyl-4-oxidanylidene-N-(phenylmethyl)-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide

Systemtic Name: 3-(3-methoxyphenyl)-N-methyl-4-oxidanylidene-N-(phenylmethyl)-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-2-benzylsulfanyl-3-(3-methoxyphenyl)-N-methyl-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3-methoxyphenyl)-N-methyl-4-oxo-N-(phenylmethyl)-2-(phenylmethylthio)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-2-benzylsulfanyl-3-(3-methoxyphenyl)-N-methyl-4-oxoquinazoline-7-carboxamide Traditional Name: N-benzyl-2-(benzylthio)-4-keto-3-(3-methoxyphenyl)-N-methyl-quinazoline-7-carboxamide Formula: C31H27N3O3S MolecularWeight: 521.62938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=C4)C5=CC(=CC=C5)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=C4)C5=CC(=CC=C5)OC

InChI

InChI=1S/C31H27N3O3S/c1-33(20-22-10-5-3-6-11-22)29(35)24-16-17-27-28(18-24)32-31(38-21-23-12-7-4-8-13-23)34(30(27)36)25-14-9-15-26(19-25)37-2/h3-19H,20-21H2,1-2H3