S-[5-[(6-sulfamoyl-1H-benzimidazol-2-yl)carbonylsulfanyl]pentyl] 6-sulfamoyl-1H-benzimidazole-2-carbothioate

Systemtic Name: S-[5-[(6-sulfamoyl-1H-benzimidazol-2-yl)carbonylsulfanyl]pentyl] 6-sulfamoyl-1H-benzimidazole-2-carbothioate Openeye Name: S-[5-(6-sulfamoyl-1H-benzimidazole-2-carbonyl)sulfanylpentyl] 6-sulfamoyl-1H-benzimidazole-2-carbothioate CAS Name: 6-sulfamoyl-1H-benzimidazole-2-carbothioic acid S-[5-[[oxo-(6-sulfamoyl-1H-benzimidazol-2-yl)methyl]thio]pentyl] ester IUPAC Name: S-[5-(6-sulfamoyl-1H-benzimidazole-2-carbonyl)sulfanylpentyl] 6-sulfamoyl-1H-benzimidazole-2-carbothioate Traditional Name: 6-sulfamoyl-1H-benzimidazole-2-carbothioic acid S-[5-[(6-sulfamoyl-1H-benzimidazole-2-carbonyl)thio]pentyl] ester Formula: C21H22N6O6S4 MolecularWeight: 582.69598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)N)NC(=N2)C(=O)SCCCCCSC(=O)C3=NC4=C(N3)C=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)N)NC(=N2)C(=O)SCCCCCSC(=O)C3=NC4=C(N3)C=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H22N6O6S4/c22-36(30,31)12-4-6-14-16(10-12)26-18(24-14)20(28)34-8-2-1-3-9-35-21(29)19-25-15-7-5-13(37(23,32)33)11-17(15)27-19/h4-7,10-11H,1-3,8-9H2,(H,24,26)(H,25,27)(H2,22,30,31)(H2,23,32,33)