1-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)sulfanylbutylsulfanyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)sulfanylbutylsulfanyl]benzimidazole-5-carboxylic acid Openeye Name: 1-[4-(4-acetyl-3-hydroxy-2-propyl-phenyl)sulfanylbutylsulfanyl]benzimidazole-5-carboxylic acid CAS Name: 1-[4-[(4-acetyl-3-hydroxy-2-propylphenyl)thio]butylthio]-5-benzimidazolecarboxylic acid IUPAC Name: 1-[4-(4-acetyl-3-hydroxy-2-propylphenyl)sulfanylbutylsulfanyl]benzimidazole-5-carboxylic acid Traditional Name: 1-[4-[(4-acetyl-3-hydroxy-2-propyl-phenyl)thio]butylthio]benzimidazole-5-carboxylic acid Formula: C23H26N2O4S2 MolecularWeight: 458.59354

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)SCCCCSN2C=NC3=C2C=CC(=C3)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)SCCCCSN2C=NC3=C2C=CC(=C3)C(=O)O

InChI

InChI=1S/C23H26N2O4S2/c1-3-6-18-21(10-8-17(15(2)26)22(18)27)30-11-4-5-12-31-25-14-24-19-13-16(23(28)29)7-9-20(19)25/h7-10,13-14,27H,3-6,11-12H2,1-2H3,(H,28,29)