2-(3-cyano-5,7-dimethyl-quinolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]ethanamide

Systemtic Name: 2-(3-cyano-5,7-dimethyl-quinolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]ethanamide Openeye Name: 2-[(3-cyano-5,7-dimethyl-2-quinolyl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide CAS Name: 2-[(3-cyano-5,7-dimethyl-2-quinolinyl)thio]-N-[(1S,2S)-2-methylcyclohexyl]acetamide IUPAC Name: 2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]acetamide Traditional Name: 2-[(3-cyano-5,7-dimethyl-2-quinolyl)thio]-N-[(1S,2S)-2-methylcyclohexyl]acetamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NC3=CC(=CC(=C3C=C2C#N)C)C

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NC3=CC(=CC(=C3C=C2C#N)C)C

InChI

InChI=1S/C21H25N3OS/c1-13-8-15(3)17-10-16(11-22)21(24-19(17)9-13)26-12-20(25)23-18-7-5-4-6-14(18)2/h8-10,14,18H,4-7,12H2,1-3H3,(H,23,25)/t14-,18-/m0/s1