1-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-2-quinolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-2-quinolin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-(4-isobutylpiperazin-1-yl)phenyl]-2-(4-quinolylsulfanyl)ethanone CAS Name: 1-[4-[4-(2-methylpropyl)-1-piperazinyl]phenyl]-2-(4-quinolinylthio)ethanone IUPAC Name: 1-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-2-quinolin-4-ylsulfanylethanone Traditional Name: 1-[4-(4-isobutylpiperazino)phenyl]-2-(4-quinolylthio)ethanone Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCN(CC1)C2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43

Isomeric SMILES

CC(C)CN1CCN(CC1)C2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43

InChI

InChI=1S/C25H29N3OS/c1-19(2)17-27-13-15-28(16-14-27)21-9-7-20(8-10-21)24(29)18-30-25-11-12-26-23-6-4-3-5-22(23)25/h3-12,19H,13-18H2,1-2H3