2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone

Systemtic Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone Openeye Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone CAS Name: 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]-1-(4-methyl-1-piperazinyl)ethanone IUPAC Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone Traditional Name: 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]-1-(4-methylpiperazino)ethanone Formula: C22H26N4OS2 MolecularWeight: 426.59804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCC(=O)N2CCN(CC2)C)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC=C1SCC(=O)N2CCN(CC2)C)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H26N4OS2/c1-16-17(14-29-22-23-18-7-3-4-8-19(18)24-22)6-5-9-20(16)28-15-21(27)26-12-10-25(2)11-13-26/h3-9H,10-15H2,1-2H3,(H,23,24)