N-(2-cyano-3-methyl-butan-2-yl)-2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-(3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[(3-cyclohexyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[(3-cyclohexyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCCCC3

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CCCCC3

InChI

InChI=1S/C22H28N4O2S/c1-15(2)22(3,14-23)25-19(27)13-29-21-24-18-12-8-7-11-17(18)20(28)26(21)16-9-5-4-6-10-16/h7-8,11-12,15-16H,4-6,9-10,13H2,1-3H3,(H,25,27)