methyl 1-[2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[1-(m-tolyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[1-(3-methylphenyl)-2-benzimidazolyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[1-(m-tolyl)benzimidazol-2-yl]thio]acetyl]isonipecotic acid methyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=CC=CC=C3N=C2SCC(=O)N4CCC(CC4)C(=O)OC

InChI

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