(2R)-N-(2-cyanoethyl)-2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-methyl-propanamide

Systemtic Name: (2R)-N-(2-cyanoethyl)-2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-methyl-propanamide Openeye Name: (2R)-N-(2-cyanoethyl)-2-(3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-methyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-2-[(3-cyclohexyl-4-oxo-2-quinazolinyl)thio]-N-methylpropanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-methylpropanamide Traditional Name: (2R)-N-(2-cyanoethyl)-2-[(3-cyclohexyl-4-keto-quinazolin-2-yl)thio]-N-methyl-propionamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CCC#N)SC1=NC2=CC=CC=C2C(=O)N1C3CCCCC3

Isomeric SMILES

C[C@H](C(=O)N(C)CCC#N)SC1=NC2=CC=CC=C2C(=O)N1C3CCCCC3

InChI

InChI=1S/C21H26N4O2S/c1-15(19(26)24(2)14-8-13-22)28-21-23-18-12-7-6-11-17(18)20(27)25(21)16-9-4-3-5-10-16/h6-7,11-12,15-16H,3-5,8-10,14H2,1-2H3/t15-/m1/s1