1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzimidazol-1-yl]ethanone

Systemtic Name: 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzimidazol-1-yl]ethanone Openeye Name: 1-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzimidazol-1-yl]ethanone CAS Name: 1-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-2-[2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1-benzimidazolyl]ethanone IUPAC Name: 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzimidazol-1-yl]ethanone Traditional Name: 1-[(2R,6R)-2,6-dimethylpiperidino]-2-[2-[(2-keto-2-pyrrolidino-ethyl)thio]benzimidazol-1-yl]ethanone Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CN2C3=CC=CC=C3N=C2SCC(=O)N4CCCC4)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)CN2C3=CC=CC=C3N=C2SCC(=O)N4CCCC4)C

InChI

InChI=1S/C22H30N4O2S/c1-16-8-7-9-17(2)26(16)20(27)14-25-19-11-4-3-10-18(19)23-22(25)29-15-21(28)24-12-5-6-13-24/h3-4,10-11,16-17H,5-9,12-15H2,1-2H3/t16-,17-/m1/s1