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

Systemtic Name: ethyl 1-[2-(1-phenethylbenzimidazol-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(1-phenethylbenzimidazol-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(1-phenethyl-2-benzimidazolyl)thio]propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1-phenethylbenzimidazol-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-phenethylbenzimidazol-2-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C26H31N3O3S MolecularWeight: 465.60764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O3S/c1-3-32-25(31)21-14-16-28(17-15-21)24(30)19(2)33-26-27-22-11-7-8-12-23(22)29(26)18-13-20-9-5-4-6-10-20/h4-12,19,21H,3,13-18H2,1-2H3