N-[2-(cyanomethylsulfanyl)phenyl]-2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[(3-cyclohexyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[(3-cyclohexyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C24H24N4O2S2 MolecularWeight: 464.60296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4SCC#N

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4SCC#N

InChI

InChI=1S/C24H24N4O2S2/c25-14-15-31-21-13-7-6-12-20(21)26-22(29)16-32-24-27-19-11-5-4-10-18(19)23(30)28(24)17-8-2-1-3-9-17/h4-7,10-13,17H,1-3,8-9,15-16H2,(H,26,29)