2-[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone

Systemtic Name: 2-[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone Openeye Name: 2-[[3-(1H-benzimidazol-2-yl)-2-pyridyl]sulfanyl]-1-(2-ethyl-1-piperidyl)ethanone CAS Name: 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]-1-(2-ethyl-1-piperidinyl)ethanone IUPAC Name: 2-[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone Traditional Name: 2-[[3-(1H-benzimidazol-2-yl)-2-pyridyl]thio]-1-(2-ethylpiperidino)ethanone Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=C(C=CC=N2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CCC1CCCCN1C(=O)CSC2=C(C=CC=N2)C3=NC4=CC=CC=C4N3

InChI

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