ethyl 1-[2-(1-phenylbenzimidazol-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(1-phenylbenzimidazol-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(1-phenylbenzimidazol-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(1-phenyl-2-benzimidazolyl)thio]propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1-phenylbenzimidazol-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-phenylbenzimidazol-2-yl)thio]propanoyl]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)C(C)SC2=NC3=CC=CC=C3N2C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3N2C4=CC=CC=C4

InChI

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