ethyl 2-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)sulfanylbutylsulfanyl]-3H-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)sulfanylbutylsulfanyl]-3H-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[4-(4-acetyl-3-hydroxy-2-propyl-phenyl)sulfanylbutylsulfanyl]-3H-benzimidazole-5-carboxylate CAS Name: 2-[4-[(4-acetyl-3-hydroxy-2-propylphenyl)thio]butylthio]-3H-benzimidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-acetyl-3-hydroxy-2-propylphenyl)sulfanylbutylsulfanyl]-3H-benzimidazole-5-carboxylate Traditional Name: 2-[4-[(4-acetyl-3-hydroxy-2-propyl-phenyl)thio]butylthio]-3H-benzimidazole-5-carboxylic acid ethyl ester Formula: C25H30N2O4S2 MolecularWeight: 486.6467

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)SCCCCSC2=NC3=C(N2)C=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)SCCCCSC2=NC3=C(N2)C=C(C=C3)C(=O)OCC

InChI

InChI=1S/C25H30N2O4S2/c1-4-8-19-22(12-10-18(16(3)28)23(19)29)32-13-6-7-14-33-25-26-20-11-9-17(15-21(20)27-25)24(30)31-5-2/h9-12,15,29H,4-8,13-14H2,1-3H3,(H,26,27)