S-[8-(1H-benzimidazol-2-ylcarbonylsulfanyl)octyl] 1H-benzimidazole-2-carbothioate

Systemtic Name: S-[8-(1H-benzimidazol-2-ylcarbonylsulfanyl)octyl] 1H-benzimidazole-2-carbothioate Openeye Name: S-[8-(1H-benzimidazole-2-carbonylsulfanyl)octyl] 1H-benzimidazole-2-carbothioate CAS Name: 1H-benzimidazole-2-carbothioic acid S-[8-[[1H-benzimidazol-2-yl(oxo)methyl]thio]octyl] ester IUPAC Name: S-[8-(1H-benzimidazole-2-carbonylsulfanyl)octyl] 1H-benzimidazole-2-carbothioate Traditional Name: 1H-benzimidazole-2-carbothioic acid S-[8-(1H-benzimidazole-2-carbonylthio)octyl] ester Formula: C24H26N4O2S2 MolecularWeight: 466.61884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O2S2/c29-23(21-25-17-11-5-6-12-18(17)26-21)31-15-9-3-1-2-4-10-16-32-24(30)22-27-19-13-7-8-14-20(19)28-22/h5-8,11-14H,1-4,9-10,15-16H2,(H,25,26)(H,27,28)