S-[[3-(1H-benzimidazol-2-ylcarbonylsulfanylmethyl)phenyl]methyl] 1H-benzimidazole-2-carbothioate

Systemtic Name: S-[[3-(1H-benzimidazol-2-ylcarbonylsulfanylmethyl)phenyl]methyl] 1H-benzimidazole-2-carbothioate Openeye Name: S-[[3-(1H-benzimidazole-2-carbonylsulfanylmethyl)phenyl]methyl] 1H-benzimidazole-2-carbothioate CAS Name: 1H-benzimidazole-2-carbothioic acid S-[[3-[[[1H-benzimidazol-2-yl(oxo)methyl]thio]methyl]phenyl]methyl] ester IUPAC Name: S-[[3-(1H-benzimidazole-2-carbonylsulfanylmethyl)phenyl]methyl] 1H-benzimidazole-2-carbothioate Traditional Name: 1H-benzimidazole-2-carbothioic acid S-[3-[(1H-benzimidazole-2-carbonylthio)methyl]benzyl] ester Formula: C24H18N4O2S2 MolecularWeight: 458.55532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(=O)SCC3=CC(=CC=C3)CSC(=O)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C(=O)SCC3=CC(=CC=C3)CSC(=O)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H18N4O2S2/c29-23(21-25-17-8-1-2-9-18(17)26-21)31-13-15-6-5-7-16(12-15)14-32-24(30)22-27-19-10-3-4-11-20(19)28-22/h1-12H,13-14H2,(H,25,26)(H,27,28)