2-(cyanomethylsulfanyl)-N-(3,4-dimethoxyphenyl)-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-(3,4-dimethoxyphenyl)-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-2-(cyanomethylsulfanyl)-N-(3,4-dimethoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-N-(3,4-dimethoxyphenyl)-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-(cyanomethylsulfanyl)-N-(3,4-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-2-(cyanomethylthio)-N-(3,4-dimethoxyphenyl)-4-keto-quinazoline-7-carboxamide Formula: C26H22N4O4S MolecularWeight: 486.54228

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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#N)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CC4=CC=CC=C4)OC

InChI

InChI=1S/C26H22N4O4S/c1-33-22-11-9-19(15-23(22)34-2)28-24(31)18-8-10-20-21(14-18)29-26(35-13-12-27)30(25(20)32)16-17-6-4-3-5-7-17/h3-11,14-15H,13,16H2,1-2H3,(H,28,31)