1-[4-[3-(2-methylsulfanylquinolin-5-yl)oxy-2-oxidanyl-propyl]piperazin-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: 1-[4-[3-(2-methylsulfanylquinolin-5-yl)oxy-2-oxidanyl-propyl]piperazin-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-[2-hydroxy-3-[(2-methylsulfanyl-5-quinolyl)oxy]propyl]piperazin-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[4-[2-hydroxy-3-[[2-(methylthio)-5-quinolinyl]oxy]propyl]-1-piperazinyl]-2,2-diphenylethanone IUPAC Name: 1-[4-[2-hydroxy-3-(2-methylsulfanylquinolin-5-yl)oxypropyl]piperazin-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-[2-hydroxy-3-[[2-(methylthio)-5-quinolyl]oxy]propyl]piperazino]-2,2-diphenyl-ethanone Formula: C31H33N3O3S MolecularWeight: 527.67702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=C1)C(=CC=C2)OCC(CN3CCN(CC3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

CSC1=NC2=C(C=C1)C(=CC=C2)OCC(CN3CCN(CC3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C31H33N3O3S/c1-38-29-16-15-26-27(32-29)13-8-14-28(26)37-22-25(35)21-33-17-19-34(20-18-33)31(36)30(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-16,25,30,35H,17-22H2,1H3