1-[4-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethyl]piperazino]ethanone Formula: C22H27N5OS2 MolecularWeight: 441.61268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCN4CCN(CC4)C(=O)C

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCN4CCN(CC4)C(=O)C

InChI

InChI=1S/C22H27N5OS2/c1-16-20(15-30-22-24-18-5-3-4-6-19(18)25-22)23-8-7-21(16)29-14-13-26-9-11-27(12-10-26)17(2)28/h3-8H,9-15H2,1-2H3,(H,24,25)