S-[5-[[1-(octan-4-ylsulfonylamino)-3-propanoyl-2H-benzimidazol-2-yl]carbonylsulfanyl]pentyl] 6-(octylsulfonylamino)-1-propanoyl-benzimidazole-2-carbothioate

Systemtic Name: S-[5-[[1-(octan-4-ylsulfonylamino)-3-propanoyl-2H-benzimidazol-2-yl]carbonylsulfanyl]pentyl] 6-(octylsulfonylamino)-1-propanoyl-benzimidazole-2-carbothioate Openeye Name: S-[5-[1-propanoyl-3-(1-propylpentylsulfonylamino)-2H-benzimidazole-2-carbonyl]sulfanylpentyl] 6-(octylsulfonylamino)-1-propanoyl-benzimidazole-2-carbothioate CAS Name: 6-(octylsulfonylamino)-1-(1-oxopropyl)-2-benzimidazolecarbothioic acid S-[5-[[[1-(octan-4-ylsulfonylamino)-3-(1-oxopropyl)-2H-benzimidazol-2-yl]-oxomethyl]thio]pentyl] ester IUPAC Name: S-[5-[1-(octan-4-ylsulfonylamino)-3-propanoyl-2H-benzimidazole-2-carbonyl]sulfanylpentyl] 6-(octylsulfonylamino)-1-propanoylbenzimidazole-2-carbothioate Traditional Name: 6-(octylsulfonylamino)-1-propionyl-benzimidazole-2-carbothioic acid S-[5-[[1-propionyl-3-(1-propylpentylsulfonylamino)-2H-benzimidazole-2-carbonyl]thio]pentyl] ester Formula: C43H64N6O8S4 MolecularWeight: 921.26366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NC1=CC2=C(C=C1)N=C(N2C(=O)CC)C(=O)SCCCCCSC(=O)C3N(C4=CC=CC=C4N3NS(=O)(=O)C(CCC)CCCC)C(=O)CC

Isomeric SMILES

CCCCCCCCS(=O)(=O)NC1=CC2=C(C=C1)N=C(N2C(=O)CC)C(=O)SCCCCCSC(=O)C3N(C4=CC=CC=C4N3NS(=O)(=O)C(CCC)CCCC)C(=O)CC

InChI

InChI=1S/C43H64N6O8S4/c1-6-11-13-14-15-21-30-60(54,55)45-32-26-27-34-37(31-32)47(38(50)9-4)40(44-34)42(52)58-28-19-16-20-29-59-43(53)41-48(39(51)10-5)35-24-17-18-25-36(35)49(41)46-61(56,57)33(22-8-3)23-12-7-2/h17-18,24-27,31,33,41,45-46H,6-16,19-23,28-30H2,1-5H3