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

Systemtic Name: methyl 1-[2-(1-phenethylbenzimidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(1-phenethylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(1-phenethyl-2-benzimidazolyl)thio]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(1-phenethylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-phenethylbenzimidazol-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O3S/c1-30-23(29)19-12-14-26(15-13-19)22(28)17-31-24-25-20-9-5-6-10-21(20)27(24)16-11-18-7-3-2-4-8-18/h2-10,19H,11-17H2,1H3