2-(cyanomethylsulfanyl)-N-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-3-phenyl-quinazoline-7-carboxamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-3-phenyl-quinazoline-7-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-N-[2-(cyclohexen-1-yl)ethyl]-4-oxo-3-phenyl-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-N-[2-(1-cyclohexenyl)ethyl]-4-oxo-3-phenyl-7-quinazolinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-[2-(cyclohexen-1-yl)ethyl]-4-oxo-3-phenylquinazoline-7-carboxamide Traditional Name: 2-(cyanomethylthio)-N-[2-(cyclohexen-1-yl)ethyl]-4-keto-3-phenyl-quinazoline-7-carboxamide Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O2S/c26-14-16-32-25-28-22-17-19(23(30)27-15-13-18-7-3-1-4-8-18)11-12-21(22)24(31)29(25)20-9-5-2-6-10-20/h2,5-7,9-12,17H,1,3-4,8,13,15-16H2,(H,27,30)