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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NC3=CC=CC=C3N2CC(=O)N4CCCC4)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)CSC2=NC3=CC=CC=C3N2CC(=O)N4CCCC4)C

InChI

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