N-[(2-chlorophenyl)methyl]-2-(cyanomethylsulfanyl)-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-(cyanomethylsulfanyl)-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-[(2-chlorophenyl)methyl]-2-(cyanomethylsulfanyl)-4-oxo-quinazoline-7-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-2-(cyanomethylthio)-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-N-[(2-chlorophenyl)methyl]-2-(cyanomethylsulfanyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-N-(2-chlorobenzyl)-2-(cyanomethylthio)-4-keto-quinazoline-7-carboxamide Formula: C25H19ClN4O2S MolecularWeight: 474.96196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4Cl)N=C2SCC#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4Cl)N=C2SCC#N

InChI

InChI=1S/C25H19ClN4O2S/c26-21-9-5-4-8-19(21)15-28-23(31)18-10-11-20-22(14-18)29-25(33-13-12-27)30(24(20)32)16-17-6-2-1-3-7-17/h1-11,14H,13,15-16H2,(H,28,31)