N-(2-cyano-3-methyl-butan-2-yl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[(4-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[(4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[(4-methyl-2-quinolyl)thio]acetamide Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC(C)(C#N)C(C)C

InChI

InChI=1S/C18H21N3OS/c1-12(2)18(4,11-19)21-16(22)10-23-17-9-13(3)14-7-5-6-8-15(14)20-17/h5-9,12H,10H2,1-4H3,(H,21,22)