methyl 1-[2-(1-phenylbenzimidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(1-phenylbenzimidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(1-phenylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(1-phenyl-2-benzimidazolyl)thio]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(1-phenylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-phenylbenzimidazol-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-28-21(27)16-11-13-24(14-12-16)20(26)15-29-22-23-18-9-5-6-10-19(18)25(22)17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3