N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl]-2-thiophen-3-yl-ethanamide

Systemtic Name: N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl]-2-thiophen-3-yl-ethanamide Openeye Name: N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanyl-3-quinolyl]methyl]-2-(3-thienyl)acetamide CAS Name: N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-(methylthio)-3-quinolinyl]methyl]-2-(3-thiophenyl)acetamide IUPAC Name: N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide Traditional Name: N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-(methylthio)-3-quinolyl]methyl]-2-(3-thienyl)acetamide Formula: C27H26N2O2S2 MolecularWeight: 474.63754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C=C3C=CC(=CC3=N2)SC)CN(C4CC4)C(=O)CC5=CSC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C=C3C=CC(=CC3=N2)SC)CN(C4CC4)C(=O)CC5=CSC=C5

InChI

InChI=1S/C27H26N2O2S2/c1-31-23-5-3-4-20(14-23)27-21(13-19-6-9-24(32-2)15-25(19)28-27)16-29(22-7-8-22)26(30)12-18-10-11-33-17-18/h3-6,9-11,13-15,17,22H,7-8,12,16H2,1-2H3