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

Systemtic Name: N-(1-cyanocyclopentyl)-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[(7-methoxy-4-phenyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[(7-methoxy-4-phenyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[(7-methoxy-4-phenyl-2-quinolyl)thio]acetamide Formula: C24H23N3O2S MolecularWeight: 417.52332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)NC3(CCCC3)C#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)NC3(CCCC3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C24H23N3O2S/c1-29-18-9-10-19-20(17-7-3-2-4-8-17)14-23(26-21(19)13-18)30-15-22(28)27-24(16-25)11-5-6-12-24/h2-4,7-10,13-14H,5-6,11-12,15H2,1H3,(H,27,28)