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

Systemtic Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-N-cyclopentyl-ethanamide Openeye Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-N-cyclopentyl-acetamide CAS Name: 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]-N-cyclopentylacetamide IUPAC Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanyl-N-cyclopentylacetamide Traditional Name: 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]-N-cyclopentyl-acetamide Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCC(=O)NC2CCCC2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC=C1SCC(=O)NC2CCCC2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H25N3OS2/c1-15-16(13-28-22-24-18-10-4-5-11-19(18)25-22)7-6-12-20(15)27-14-21(26)23-17-8-2-3-9-17/h4-7,10-12,17H,2-3,8-9,13-14H2,1H3,(H,23,26)(H,24,25)