1-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonyl-N-phenyl-piperidine-3-carboxamide

Systemtic Name: 1-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonyl-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[[4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-oxomethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: 1-[4-[(1H-benzimidazol-2-ylthio)methyl]benzoyl]-N-phenyl-nipecotamide Formula: C27H26N4O2S MolecularWeight: 470.58594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2S/c32-25(28-22-8-2-1-3-9-22)21-7-6-16-31(17-21)26(33)20-14-12-19(13-15-20)18-34-27-29-23-10-4-5-11-24(23)30-27/h1-5,8-15,21H,6-7,16-18H2,(H,28,32)(H,29,30)