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

Systemtic Name: 2-(cyanomethylsulfanyl)-N-methyl-4-oxidanylidene-3-phenyl-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-2-(cyanomethylsulfanyl)-N-methyl-4-oxo-3-phenyl-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-N-methyl-4-oxo-3-phenyl-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-2-(cyanomethylsulfanyl)-N-methyl-4-oxo-3-phenylquinazoline-7-carboxamide Traditional Name: N-benzyl-2-(cyanomethylthio)-4-keto-N-methyl-3-phenyl-quinazoline-7-carboxamide Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N4O2S/c1-28(17-18-8-4-2-5-9-18)23(30)19-12-13-21-22(16-19)27-25(32-15-14-26)29(24(21)31)20-10-6-3-7-11-20/h2-13,16H,15,17H2,1H3