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

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-(cyanomethylsulfanyl)-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-[(3-chlorophenyl)methyl]-2-(cyanomethylsulfanyl)-4-oxo-quinazoline-7-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-2-(cyanomethylthio)-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-N-[(3-chlorophenyl)methyl]-2-(cyanomethylsulfanyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-N-(3-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=C4)Cl)N=C2SCC#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC(=CC=C4)Cl)N=C2SCC#N

InChI

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