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

Systemtic Name: 2-(cyanomethylsulfanyl)-N-cyclohexyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-N-cyclohexyl-4-oxo-3-phenyl-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-N-cyclohexyl-4-oxo-3-phenyl-7-quinazolinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-cyclohexyl-4-oxo-3-phenylquinazoline-7-carboxamide Traditional Name: 2-(cyanomethylthio)-N-cyclohexyl-4-keto-3-phenyl-quinazoline-7-carboxamide Formula: C23H22N4O2S MolecularWeight: 418.51138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4O2S/c24-13-14-30-23-26-20-15-16(21(28)25-17-7-3-1-4-8-17)11-12-19(20)22(29)27(23)18-9-5-2-6-10-18/h2,5-6,9-12,15,17H,1,3-4,7-8,14H2,(H,25,28)