1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzimidazol-1-yl]ethanone

Systemtic Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzimidazol-1-yl]ethanone Openeye Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzimidazol-1-yl]ethanone CAS Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-[2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1-benzimidazolyl]ethanone IUPAC Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzimidazol-1-yl]ethanone Traditional Name: 1-[(3R,5R)-3,5-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:

CC1CC(CN(C1)C(=O)CN2C3=CC=CC=C3N=C2SCC(=O)N4CCCC4)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)CN2C3=CC=CC=C3N=C2SCC(=O)N4CCCC4)C

InChI

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