2-(3-cyano-6-ethyl-quinolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]ethanamide

Systemtic Name: 2-(3-cyano-6-ethyl-quinolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]ethanamide Openeye Name: 2-[(3-cyano-6-ethyl-2-quinolyl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide CAS Name: 2-[(3-cyano-6-ethyl-2-quinolinyl)thio]-N-[(1S,2S)-2-methylcyclohexyl]acetamide IUPAC Name: 2-(3-cyano-6-ethylquinolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]acetamide Traditional Name: 2-[(3-cyano-6-ethyl-2-quinolyl)thio]-N-[(1S,2S)-2-methylcyclohexyl]acetamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3CCCCC3C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N[C@H]3CCCC[C@@H]3C

InChI

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