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

Systemtic Name: S-[5-[5-(octylsulfonylamino)-1-propanoyl-benzimidazol-2-yl]carbonylsulfanylpentyl] 6-(octylsulfonylamino)-1-propanoyl-benzimidazole-2-carbothioate Openeye Name: S-[5-[5-(octylsulfonylamino)-1-propanoyl-benzimidazole-2-carbonyl]sulfanylpentyl] 6-(octylsulfonylamino)-1-propanoyl-benzimidazole-2-carbothioate CAS Name: 6-(octylsulfonylamino)-1-(1-oxopropyl)-2-benzimidazolecarbothioic acid S-[5-[[[5-(octylsulfonylamino)-1-(1-oxopropyl)-2-benzimidazolyl]-oxomethyl]thio]pentyl] ester IUPAC Name: S-[5-[5-(octylsulfonylamino)-1-propanoylbenzimidazole-2-carbonyl]sulfanylpentyl] 6-(octylsulfonylamino)-1-propanoylbenzimidazole-2-carbothioate Traditional Name: 6-(octylsulfonylamino)-1-propionyl-benzimidazole-2-carbothioic acid S-[5-[[5-(octylsulfonylamino)-1-propionyl-benzimidazole-2-carbonyl]thio]pentyl] ester Formula: C43H62N6O8S4 MolecularWeight: 919.24778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NC1=CC2=C(C=C1)N(C(=N2)C(=O)SCCCCCSC(=O)C3=NC4=C(N3C(=O)CC)C=C(C=C4)NS(=O)(=O)CCCCCCCC)C(=O)CC

Isomeric SMILES

CCCCCCCCS(=O)(=O)NC1=CC2=C(C=C1)N(C(=N2)C(=O)SCCCCCSC(=O)C3=NC4=C(N3C(=O)CC)C=C(C=C4)NS(=O)(=O)CCCCCCCC)C(=O)CC

InChI

InChI=1S/C43H62N6O8S4/c1-5-9-11-13-15-20-28-60(54,55)46-32-23-25-36-35(30-32)45-41(48(36)38(50)7-3)43(53)59-27-19-17-18-26-58-42(52)40-44-34-24-22-33(31-37(34)49(40)39(51)8-4)47-61(56,57)29-21-16-14-12-10-6-2/h22-25,30-31,46-47H,5-21,26-29H2,1-4H3