N-[2-(cyclohexen-1-yl)ethyl]-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(7-methoxy-4-phenyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(7-methoxy-4-phenyl-2-quinolinyl)thio]acetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(7-methoxy-4-phenyl-2-quinolyl)thio]acetamide Formula: C26H28N2O2S MolecularWeight: 432.57772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)NCCC3=CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC(=O)NCCC3=CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O2S/c1-30-21-12-13-22-23(20-10-6-3-7-11-20)17-26(28-24(22)16-21)31-18-25(29)27-15-14-19-8-4-2-5-9-19/h3,6-8,10-13,16-17H,2,4-5,9,14-15,18H2,1H3,(H,27,29)