2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-N-cyclohexyl-ethanamide

Systemtic Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]-N-cyclohexyl-acetamide Formula: C23H27N3OS2 MolecularWeight: 425.60998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCC(=O)NC2CCCCC2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC=C1SCC(=O)NC2CCCCC2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H27N3OS2/c1-16-17(14-29-23-25-19-11-5-6-12-20(19)26-23)8-7-13-21(16)28-15-22(27)24-18-9-3-2-4-10-18/h5-8,11-13,18H,2-4,9-10,14-15H2,1H3,(H,24,27)(H,25,26)