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

Systemtic Name: 2-[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone Openeye Name: 2-[[3-(1H-benzimidazol-2-yl)-2-pyridyl]sulfanyl]-1-(2,6-dimethyl-1-piperidyl)ethanone CAS Name: 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]-1-(2,6-dimethyl-1-piperidinyl)ethanone IUPAC Name: 2-[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone Traditional Name: 2-[[3-(1H-benzimidazol-2-yl)-2-pyridyl]thio]-1-(2,6-dimethylpiperidino)ethanone Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=C(C=CC=N2)C3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC1CCCC(N1C(=O)CSC2=C(C=CC=N2)C3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C21H24N4OS/c1-14-7-5-8-15(2)25(14)19(26)13-27-21-16(9-6-12-22-21)20-23-17-10-3-4-11-18(17)24-20/h3-4,6,9-12,14-15H,5,7-8,13H2,1-2H3,(H,23,24)