N-(1-cyanocyclohexyl)-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[(7-methoxy-4-phenyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[(7-methoxy-4-phenyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[(7-methoxy-4-phenyl-2-quinolyl)thio]acetamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)NC3(CCCCC3)C#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)NC3(CCCCC3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O2S/c1-30-19-10-11-20-21(18-8-4-2-5-9-18)15-24(27-22(20)14-19)31-16-23(29)28-25(17-26)12-6-3-7-13-25/h2,4-5,8-11,14-15H,3,6-7,12-13,16H2,1H3,(H,28,29)