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

Systemtic Name: S-[5-[1-propanoyl-5-(propanoylamino)benzimidazol-2-yl]carbonylsulfanylpentyl] 1-propanoyl-6-(propanoylamino)benzimidazole-2-carbothioate Openeye Name: S-[5-[1-propanoyl-5-(propanoylamino)benzimidazole-2-carbonyl]sulfanylpentyl] 1-propanoyl-6-(propanoylamino)benzimidazole-2-carbothioate CAS Name: 1-(1-oxopropyl)-6-(1-oxopropylamino)-2-benzimidazolecarbothioic acid S-[5-[[oxo-[1-(1-oxopropyl)-5-(1-oxopropylamino)-2-benzimidazolyl]methyl]thio]pentyl] ester IUPAC Name: S-[5-[1-propanoyl-5-(propanoylamino)benzimidazole-2-carbonyl]sulfanylpentyl] 1-propanoyl-6-(propanoylamino)benzimidazole-2-carbothioate Traditional Name: 6-propionamido-1-propionyl-benzimidazole-2-carbothioic acid S-[5-[(5-propionamido-1-propionyl-benzimidazole-2-carbonyl)thio]pentyl] ester Formula: C33H38N6O6S2 MolecularWeight: 678.82142

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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(N3C(=O)CC)C=C(C=C4)NC(=O)CC)C(=O)CC

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N(C(=N2)C(=O)SCCCCCSC(=O)C3=NC4=C(N3C(=O)CC)C=C(C=C4)NC(=O)CC)C(=O)CC

InChI

InChI=1S/C33H38N6O6S2/c1-5-26(40)34-20-13-15-24-23(18-20)37-31(38(24)28(42)7-3)33(45)47-17-11-9-10-16-46-32(44)30-36-22-14-12-21(35-27(41)6-2)19-25(22)39(30)29(43)8-4/h12-15,18-19H,5-11,16-17H2,1-4H3,(H,34,40)(H,35,41)