1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-[(1-methyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-[(3R,5R)-3,5-dimethylpiperidino]-2-[(1-methylbenzimidazol-2-yl)thio]ethanone Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC3=CC=CC=C3N2C)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)CSC2=NC3=CC=CC=C3N2C)C

InChI

InChI=1S/C17H23N3OS/c1-12-8-13(2)10-20(9-12)16(21)11-22-17-18-14-6-4-5-7-15(14)19(17)3/h4-7,12-13H,8-11H2,1-3H3/t12-,13-/m1/s1