1-(4-fluorophenyl)-4-[4-(2-propan-2-ylsulfanylbenzimidazol-1-yl)piperidin-1-yl]butan-1-one hydrobromide

Systemtic Name: 1-(4-fluorophenyl)-4-[4-(2-propan-2-ylsulfanylbenzimidazol-1-yl)piperidin-1-yl]butan-1-one hydrobromide Openeye Name: 1-(4-fluorophenyl)-4-[4-(2-isopropylsulfanylbenzimidazol-1-yl)-1-piperidyl]butan-1-one hydrobromide CAS Name: 1-(4-fluorophenyl)-4-[4-[2-(propan-2-ylthio)-1-benzimidazolyl]-1-piperidinyl]-1-butanone hydrobromide IUPAC Name: 1-(4-fluorophenyl)-4-[4-(2-propan-2-ylsulfanylbenzimidazol-1-yl)piperidin-1-yl]butan-1-one hydrobromide Traditional Name: 1-(4-fluorophenyl)-4-[4-[2-(isopropylthio)benzimidazol-1-yl]piperidino]butan-1-one hydrobromide Formula: C25H31BrFN3OS MolecularWeight: 520.500543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=CC=CC=C2N1C3CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F.Br

Isomeric SMILES

CC(C)SC1=NC2=CC=CC=C2N1C3CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F.Br

InChI

InChI=1S/C25H30FN3OS.BrH/c1-18(2)31-25-27-22-6-3-4-7-23(22)29(25)21-13-16-28(17-14-21)15-5-8-24(30)19-9-11-20(26)12-10-19;/h3-4,6-7,9-12,18,21H,5,8,13-17H2,1-2H3;1H