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

Systemtic Name: S-[5-[[6-(propanoylamino)-1H-benzimidazol-2-yl]carbonylsulfanyl]pentyl] 6-(propanoylamino)-1H-benzimidazole-2-carbothioate Openeye Name: S-[5-[6-(propanoylamino)-1H-benzimidazole-2-carbonyl]sulfanylpentyl] 6-(propanoylamino)-1H-benzimidazole-2-carbothioate CAS Name: 6-(1-oxopropylamino)-1H-benzimidazole-2-carbothioic acid S-[5-[[oxo-[6-(1-oxopropylamino)-1H-benzimidazol-2-yl]methyl]thio]pentyl] ester IUPAC Name: S-[5-[6-(propanoylamino)-1H-benzimidazole-2-carbonyl]sulfanylpentyl] 6-(propanoylamino)-1H-benzimidazole-2-carbothioate Traditional Name: 6-propionamido-1H-benzimidazole-2-carbothioic acid S-[5-[(6-propionamido-1H-benzimidazole-2-carbonyl)thio]pentyl] ester Formula: C27H30N6O4S2 MolecularWeight: 566.6949

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N=C(N2)C(=O)SCCCCCSC(=O)C3=NC4=C(N3)C=C(C=C4)NC(=O)CC

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N=C(N2)C(=O)SCCCCCSC(=O)C3=NC4=C(N3)C=C(C=C4)NC(=O)CC

InChI

InChI=1S/C27H30N6O4S2/c1-3-22(34)28-16-8-10-18-20(14-16)32-24(30-18)26(36)38-12-6-5-7-13-39-27(37)25-31-19-11-9-17(15-21(19)33-25)29-23(35)4-2/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,28,34)(H,29,35)(H,30,32)(H,31,33)