1-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]-2-(phenylmethylsulfanyl)ethanone

Systemtic Name: 1-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]-1-piperidyl]ethanone CAS Name: 1-[4-[[2-(phenoxymethyl)-1-benzimidazolyl]methyl]-1-piperidinyl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]ethanone Traditional Name: 2-(benzylthio)-1-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidino]ethanone Formula: C29H31N3O2S MolecularWeight: 485.64034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)C(=O)CSCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)C(=O)CSCC5=CC=CC=C5

InChI

InChI=1S/C29H31N3O2S/c33-29(22-35-21-24-9-3-1-4-10-24)31-17-15-23(16-18-31)19-32-27-14-8-7-13-26(27)30-28(32)20-34-25-11-5-2-6-12-25/h1-14,23H,15-22H2