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

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

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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=C(C=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=C(C=C5)OC

InChI

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