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

Systemtic Name: ethyl 1-[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(1-cyclohexyl-2-benzimidazolyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-cyclohexylbenzimidazol-2-yl)thio]acetyl]isonipecotic acid ethyl ester Formula: C23H31N3O3S MolecularWeight: 429.57554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2C4CCCCC4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2C4CCCCC4

InChI

InChI=1S/C23H31N3O3S/c1-2-29-22(28)17-12-14-25(15-13-17)21(27)16-30-23-24-19-10-6-7-11-20(19)26(23)18-8-4-3-5-9-18/h6-7,10-11,17-18H,2-5,8-9,12-16H2,1H3