S-[6-(1H-benzimidazol-2-ylcarbonylsulfanyl)hexyl] 1H-benzimidazole-2-carbothioate

Systemtic Name: S-[6-(1H-benzimidazol-2-ylcarbonylsulfanyl)hexyl] 1H-benzimidazole-2-carbothioate Openeye Name: S-[6-(1H-benzimidazole-2-carbonylsulfanyl)hexyl] 1H-benzimidazole-2-carbothioate CAS Name: 1H-benzimidazole-2-carbothioic acid S-[6-[[1H-benzimidazol-2-yl(oxo)methyl]thio]hexyl] ester IUPAC Name: S-[6-(1H-benzimidazole-2-carbonylsulfanyl)hexyl] 1H-benzimidazole-2-carbothioate Traditional Name: 1H-benzimidazole-2-carbothioic acid S-[6-(1H-benzimidazole-2-carbonylthio)hexyl] ester Formula: C22H22N4O2S2 MolecularWeight: 438.56568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(=O)SCCCCCCSC(=O)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C(=O)SCCCCCCSC(=O)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H22N4O2S2/c27-21(19-23-15-9-3-4-10-16(15)24-19)29-13-7-1-2-8-14-30-22(28)20-25-17-11-5-6-12-18(17)26-20/h3-6,9-12H,1-2,7-8,13-14H2,(H,23,24)(H,25,26)