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

Systemtic Name: S-[5-[5-(methylsulfonylamino)-1-propanoyl-benzimidazol-2-yl]carbonylsulfanylpentyl] 6-(methylsulfonylamino)-1-propanoyl-benzimidazole-2-carbothioate Openeye Name: S-[5-[5-(methanesulfonamido)-1-propanoyl-benzimidazole-2-carbonyl]sulfanylpentyl] 6-(methanesulfonamido)-1-propanoyl-benzimidazole-2-carbothioate CAS Name: 6-(methanesulfonamido)-1-(1-oxopropyl)-2-benzimidazolecarbothioic acid S-[5-[[[5-(methanesulfonamido)-1-(1-oxopropyl)-2-benzimidazolyl]-oxomethyl]thio]pentyl] ester IUPAC Name: S-[5-[5-(methanesulfonamido)-1-propanoylbenzimidazole-2-carbonyl]sulfanylpentyl] 6-(methanesulfonamido)-1-propanoylbenzimidazole-2-carbothioate Traditional Name: 6-(methanesulfonamido)-1-propionyl-benzimidazole-2-carbothioic acid S-[5-[[5-(methanesulfonamido)-1-propionyl-benzimidazole-2-carbonyl]thio]pentyl] ester Formula: C29H34N6O8S4 MolecularWeight: 722.87566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N6O8S4/c1-5-24(36)34-22-13-11-18(32-46(3,40)41)16-21(22)31-27(34)29(39)45-15-9-7-8-14-44-28(38)26-30-20-12-10-19(33-47(4,42)43)17-23(20)35(26)25(37)6-2/h10-13,16-17,32-33H,5-9,14-15H2,1-4H3