2-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridyl]sulfanyl]-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridyl]thio]-1-(4-methylpiperidino)ethanone Formula: C22H26N4OS MolecularWeight: 394.53304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=C(C=CC=N2)C3=NC4=C(N3)C=C(C(=C4)C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=C(C=CC=N2)C3=NC4=C(N3)C=C(C(=C4)C)C

InChI

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