1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-[1-[(3-fluorophenyl)methyl]-2-benzimidazolyl]-N-[3-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-[1-(3-fluorobenzyl)benzimidazol-2-yl]-N-[3-(methylthio)phenyl]isonipecotamide Formula: C27H27FN4OS MolecularWeight: 474.592883

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC(=CC=C5)F

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC(=CC=C5)F

InChI

InChI=1S/C27H27FN4OS/c1-34-23-9-5-8-22(17-23)29-26(33)20-12-14-31(15-13-20)27-30-24-10-2-3-11-25(24)32(27)18-19-6-4-7-21(28)16-19/h2-11,16-17,20H,12-15,18H2,1H3,(H,29,33)