ethyl 1-[2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C25H28ClN3O3S MolecularWeight: 486.02612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

InChI

InChI=1S/C25H28ClN3O3S/c1-3-32-24(31)19-11-13-28(14-12-19)23(30)17(2)33-25-27-21-15-20(26)9-10-22(21)29(25)16-18-7-5-4-6-8-18/h4-10,15,17,19H,3,11-14,16H2,1-2H3