ethyl 1-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(1H-benzimidazol-2-ylthio)methyl]benzoyl]isonipecotic acid ethyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H25N3O3S/c1-2-29-22(28)18-11-13-26(14-12-18)21(27)17-9-7-16(8-10-17)15-30-23-24-19-5-3-4-6-20(19)25-23/h3-10,18H,2,11-15H2,1H3,(H,24,25)