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

Systemtic Name: ethyl 1-[2-(1-phenethylbenzimidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 1-[2-(1-phenethylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-phenethylbenzimidazol-2-yl)thio]acetyl]isonipecotic acid ethyl ester Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3S/c1-2-31-24(30)20-13-15-27(16-14-20)23(29)18-32-25-26-21-10-6-7-11-22(21)28(25)17-12-19-8-4-3-5-9-19/h3-11,20H,2,12-18H2,1H3