2-(cyanomethylsulfanyl)-N-(2-methylpropyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-(2-methylpropyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-N-isobutyl-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-N-(2-methylpropyl)-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-(2-methylpropyl)-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: 2-(cyanomethylthio)-N-isobutyl-4-keto-3-phenethyl-quinazoline-7-carboxamide Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)CCC3=CC=CC=C3

InChI

InChI=1S/C23H24N4O2S/c1-16(2)15-25-21(28)18-8-9-19-20(14-18)26-23(30-13-11-24)27(22(19)29)12-10-17-6-4-3-5-7-17/h3-9,14,16H,10,12-13,15H2,1-2H3,(H,25,28)