2-[2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]carbonylphenyl]sulfanylethanenitrile

Systemtic Name: 2-[2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]carbonylphenyl]sulfanylethanenitrile Openeye Name: 2-[2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidine-1-carbonyl]phenyl]sulfanylacetonitrile CAS Name: 2-[[2-[oxo-[4-[[2-(phenoxymethyl)-1-benzimidazolyl]methyl]-1-piperidinyl]methyl]phenyl]thio]acetonitrile IUPAC Name: 2-[2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidine-1-carbonyl]phenyl]sulfanylacetonitrile Traditional Name: 2-[[2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidine-1-carbonyl]phenyl]thio]acetonitrile Formula: C29H28N4O2S MolecularWeight: 496.62322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)C(=O)C5=CC=CC=C5SCC#N

Isomeric SMILES

C1CN(CCC1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)C(=O)C5=CC=CC=C5SCC#N

InChI

InChI=1S/C29H28N4O2S/c30-16-19-36-27-13-7-4-10-24(27)29(34)32-17-14-22(15-18-32)20-33-26-12-6-5-11-25(26)31-28(33)21-35-23-8-2-1-3-9-23/h1-13,22H,14-15,17-21H2