ethyl 1-[2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[1-(p-tolyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[1-(4-methylphenyl)-2-benzimidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[1-(p-tolyl)benzimidazol-2-yl]thio]acetyl]isonipecotic acid ethyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2C4=CC=C(C=C4)C

InChI

InChI=1S/C24H27N3O3S/c1-3-30-23(29)18-12-14-26(15-13-18)22(28)16-31-24-25-20-6-4-5-7-21(20)27(24)19-10-8-17(2)9-11-19/h4-11,18H,3,12-16H2,1-2H3