2-(3-cyano-6,7-dimethoxy-quinolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]ethanamide

Systemtic Name: 2-(3-cyano-6,7-dimethoxy-quinolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]ethanamide Openeye Name: 2-[(3-cyano-6,7-dimethoxy-2-quinolyl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide CAS Name: 2-[(3-cyano-6,7-dimethoxy-2-quinolinyl)thio]-N-[(1S,2S)-2-methylcyclohexyl]acetamide IUPAC Name: 2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]acetamide Traditional Name: 2-[(3-cyano-6,7-dimethoxy-2-quinolyl)thio]-N-[(1S,2S)-2-methylcyclohexyl]acetamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-13-6-4-5-7-16(13)23-20(25)12-28-21-15(11-22)8-14-9-18(26-2)19(27-3)10-17(14)24-21/h8-10,13,16H,4-7,12H2,1-3H3,(H,23,25)/t13-,16-/m0/s1