1-[4-[2-methylsulfanyl-5-(2-oxidanylpropoxy)quinolin-3-yl]piperazin-1-yl]-2,2-diphenyl-ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC2=NC(=C(C=C21)N3CCN(CC3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)SC)O

Isomeric SMILES

CC(COC1=CC=CC2=NC(=C(C=C21)N3CCN(CC3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)SC)O

InChI

InChI=1S/C31H33N3O3S/c1-22(35)21-37-28-15-9-14-26-25(28)20-27(30(32-26)38-2)33-16-18-34(19-17-33)31(36)29(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-15,20,22,29,35H,16-19,21H2,1-2H3