2-(cyanomethylsulfanyl)-N-(3,5-dimethylphenyl)-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-(3,5-dimethylphenyl)-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-2-(cyanomethylsulfanyl)-N-(3,5-dimethylphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-N-(3,5-dimethylphenyl)-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-(cyanomethylsulfanyl)-N-(3,5-dimethylphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-2-(cyanomethylthio)-N-(3,5-dimethylphenyl)-4-keto-quinazoline-7-carboxamide Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H22N4O2S/c1-17-12-18(2)14-21(13-17)28-24(31)20-8-9-22-23(15-20)29-26(33-11-10-27)30(25(22)32)16-19-6-4-3-5-7-19/h3-9,12-15H,11,16H2,1-2H3,(H,28,31)