2-(3-cyano-7-ethoxy-quinolin-2-yl)sulfanyl-N-(2-methylcyclohexyl)ethanamide

Systemtic Name: 2-(3-cyano-7-ethoxy-quinolin-2-yl)sulfanyl-N-(2-methylcyclohexyl)ethanamide Openeye Name: 2-[(3-cyano-7-ethoxy-2-quinolyl)sulfanyl]-N-(2-methylcyclohexyl)acetamide CAS Name: 2-[(3-cyano-7-ethoxy-2-quinolinyl)thio]-N-(2-methylcyclohexyl)acetamide IUPAC Name: 2-(3-cyano-7-ethoxyquinolin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide Traditional Name: 2-[(3-cyano-7-ethoxy-2-quinolyl)thio]-N-(2-methylcyclohexyl)acetamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3CCCCC3C)C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3CCCCC3C)C#N

InChI

InChI=1S/C21H25N3O2S/c1-3-26-17-9-8-15-10-16(12-22)21(24-19(15)11-17)27-13-20(25)23-18-7-5-4-6-14(18)2/h8-11,14,18H,3-7,13H2,1-2H3,(H,23,25)