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

Systemtic Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methyl-phenyl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methylphenyl]thio]-N-phenethylacetamide IUPAC Name: 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[3-[(1H-benzimidazol-2-ylthio)methyl]-2-methyl-phenyl]thio]-N-phenethyl-acetamide Formula: C25H25N3OS2 MolecularWeight: 447.6155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCC(=O)NCCC2=CC=CC=C2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC=C1SCC(=O)NCCC2=CC=CC=C2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H25N3OS2/c1-18-20(16-31-25-27-21-11-5-6-12-22(21)28-25)10-7-13-23(18)30-17-24(29)26-15-14-19-8-3-2-4-9-19/h2-13H,14-17H2,1H3,(H,26,29)(H,27,28)