1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[3-(6-methyl-1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[3-(6-methyl-1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-ethanone Openeye Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-[[3-(6-methyl-1H-benzimidazol-2-yl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-[[3-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[3-(6-methyl-1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-[(3R,5R)-3,5-dimethylpiperidino]-2-[[3-(6-methyl-1H-benzimidazol-2-yl)-2-pyridyl]thio]ethanone Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=C(C=CC=N2)C3=NC4=C(N3)C=C(C=C4)C)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)CSC2=C(C=CC=N2)C3=NC4=C(N3)C=C(C=C4)C)C

InChI

InChI=1S/C22H26N4OS/c1-14-6-7-18-19(10-14)25-21(24-18)17-5-4-8-23-22(17)28-13-20(27)26-11-15(2)9-16(3)12-26/h4-8,10,15-16H,9,11-13H2,1-3H3,(H,24,25)/t15-,16-/m1/s1