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

Systemtic Name: 1-[4-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl]-2-methyl-piperazin-1-yl]ethanone Openeye Name: 1-[4-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethyl]-2-methyl-piperazin-1-yl]ethanone CAS Name: 1-[4-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethyl]-2-methyl-1-piperazinyl]ethanone IUPAC Name: 1-[4-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethyl]-2-methylpiperazin-1-yl]ethanone Traditional Name: 1-[4-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethyl]-2-methyl-piperazino]ethanone Formula: C23H29N5OS2 MolecularWeight: 455.63926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C)CCSC2=C(C(=NC=C2)CSC3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC1CN(CCN1C(=O)C)CCSC2=C(C(=NC=C2)CSC3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C23H29N5OS2/c1-16-14-27(10-11-28(16)18(3)29)12-13-30-22-8-9-24-21(17(22)2)15-31-23-25-19-6-4-5-7-20(19)26-23/h4-9,16H,10-15H2,1-3H3,(H,25,26)