2-(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)ethanamide

Systemtic Name: 2-(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)ethanamide Openeye Name: 2-(7-chloro-3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(1-cyano-1,2-dimethyl-propyl)acetamide CAS Name: 2-[(7-chloro-3-cyclohexyl-4-oxo-2-quinazolinyl)thio]-N-(2-cyano-3-methylbutan-2-yl)acetamide IUPAC Name: 2-(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)acetamide Traditional Name: 2-[(7-chloro-3-cyclohexyl-4-keto-quinazolin-2-yl)thio]-N-(1-cyano-1,2-dimethyl-propyl)acetamide Formula: C22H27ClN4O2S MolecularWeight: 446.99338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3CCCCC3

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3CCCCC3

InChI

InChI=1S/C22H27ClN4O2S/c1-14(2)22(3,13-24)26-19(28)12-30-21-25-18-11-15(23)9-10-17(18)20(29)27(21)16-7-5-4-6-8-16/h9-11,14,16H,4-8,12H2,1-3H3,(H,26,28)