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

Systemtic Name: 2-(cyanomethylsulfanyl)-4-oxidanylidene-3-phenyl-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-2-(cyanomethylsulfanyl)-4-oxo-3-phenyl-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-4-oxo-3-phenyl-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-2-(cyanomethylsulfanyl)-4-oxo-3-phenylquinazoline-7-carboxamide Traditional Name: N-benzyl-2-(cyanomethylthio)-4-keto-3-phenyl-quinazoline-7-carboxamide Formula: C24H18N4O2S MolecularWeight: 426.49032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)C4=CC=CC=C4

InChI

InChI=1S/C24H18N4O2S/c25-13-14-31-24-27-21-15-18(22(29)26-16-17-7-3-1-4-8-17)11-12-20(21)23(30)28(24)19-9-5-2-6-10-19/h1-12,15H,14,16H2,(H,26,29)