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

Systemtic Name: N-(cyclohexylcarbamoyl)-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(cyclohexylcarbamoyl)-2-[(7-methoxy-4-phenyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[(cyclohexylamino)-oxomethyl]-2-[(7-methoxy-4-phenyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(cyclohexylcarbamoyl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(cyclohexylcarbamoyl)-2-[(7-methoxy-4-phenyl-2-quinolyl)thio]acetamide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)NC(=O)NC3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)NC(=O)NC3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S/c1-31-19-12-13-20-21(17-8-4-2-5-9-17)15-24(27-22(20)14-19)32-16-23(29)28-25(30)26-18-10-6-3-7-11-18/h2,4-5,8-9,12-15,18H,3,6-7,10-11,16H2,1H3,(H2,26,28,29,30)