S-[5-(1H-benzimidazol-2-ylcarbonylsulfanyl)pentyl] 1H-benzimidazole-2-carbothioate

Systemtic Name: S-[5-(1H-benzimidazol-2-ylcarbonylsulfanyl)pentyl] 1H-benzimidazole-2-carbothioate Openeye Name: S-[5-(1H-benzimidazole-2-carbonylsulfanyl)pentyl] 1H-benzimidazole-2-carbothioate CAS Name: 1H-benzimidazole-2-carbothioic acid S-[5-[[1H-benzimidazol-2-yl(oxo)methyl]thio]pentyl] ester IUPAC Name: S-[5-(1H-benzimidazole-2-carbonylsulfanyl)pentyl] 1H-benzimidazole-2-carbothioate Traditional Name: 1H-benzimidazole-2-carbothioic acid S-[5-(1H-benzimidazole-2-carbonylthio)pentyl] ester Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2S2/c26-20(18-22-14-8-2-3-9-15(14)23-18)28-12-6-1-7-13-29-21(27)19-24-16-10-4-5-11-17(16)25-19/h2-5,8-11H,1,6-7,12-13H2,(H,22,23)(H,24,25)