S-[5-(1-propanoyl-5-sulfamoyl-benzimidazol-2-yl)carbonylsulfanylpentyl] 1-propanoyl-6-sulfamoyl-benzimidazole-2-carbothioate

Systemtic Name: S-[5-(1-propanoyl-5-sulfamoyl-benzimidazol-2-yl)carbonylsulfanylpentyl] 1-propanoyl-6-sulfamoyl-benzimidazole-2-carbothioate Openeye Name: S-[5-(1-propanoyl-5-sulfamoyl-benzimidazole-2-carbonyl)sulfanylpentyl] 1-propanoyl-6-sulfamoyl-benzimidazole-2-carbothioate CAS Name: 1-(1-oxopropyl)-6-sulfamoyl-2-benzimidazolecarbothioic acid S-[5-[[oxo-[1-(1-oxopropyl)-5-sulfamoyl-2-benzimidazolyl]methyl]thio]pentyl] ester IUPAC Name: S-[5-(1-propanoyl-5-sulfamoylbenzimidazole-2-carbonyl)sulfanylpentyl] 1-propanoyl-6-sulfamoylbenzimidazole-2-carbothioate Traditional Name: 1-propionyl-6-sulfamoyl-benzimidazole-2-carbothioic acid S-[5-[(1-propionyl-5-sulfamoyl-benzimidazole-2-carbonyl)thio]pentyl] ester Formula: C27H30N6O8S4 MolecularWeight: 694.8225

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C(=O)SCCCCCSC(=O)C3=NC4=C(N3C(=O)CC)C=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CCC(=O)N1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C(=O)SCCCCCSC(=O)C3=NC4=C(N3C(=O)CC)C=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C27H30N6O8S4/c1-3-22(34)32-20-11-9-16(44(28,38)39)14-19(20)31-25(32)27(37)43-13-7-5-6-12-42-26(36)24-30-18-10-8-17(45(29,40)41)15-21(18)33(24)23(35)4-2/h8-11,14-15H,3-7,12-13H2,1-2H3,(H2,28,38,39)(H2,29,40,41)