1-[3-bromanyl-4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-2-quinolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[3-bromanyl-4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-2-quinolin-4-ylsulfanyl-ethanone Openeye Name: 1-[3-bromo-4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-2-(4-quinolylsulfanyl)ethanone CAS Name: 1-[3-bromo-4-[4-(2,2-dimethylpropyl)-1-piperazinyl]phenyl]-2-(4-quinolinylthio)ethanone IUPAC Name: 1-[3-bromo-4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-2-quinolin-4-ylsulfanylethanone Traditional Name: 1-[3-bromo-4-(4-neopentylpiperazino)phenyl]-2-(4-quinolylthio)ethanone Formula: C26H30BrN3OS MolecularWeight: 512.5049

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30BrN3OS/c1-26(2,3)18-29-12-14-30(15-13-29)23-9-8-19(16-21(23)27)24(31)17-32-25-10-11-28-22-7-5-4-6-20(22)25/h4-11,16H,12-15,17-18H2,1-3H3