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

Systemtic Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]-1-piperidino-ethanone Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCC(=O)N2CCCCC2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC=C1SCC(=O)N2CCCCC2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H25N3OS2/c1-16-17(14-28-22-23-18-9-3-4-10-19(18)24-22)8-7-11-20(16)27-15-21(26)25-12-5-2-6-13-25/h3-4,7-11H,2,5-6,12-15H2,1H3,(H,23,24)