3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propyl]-2-sulfanylidene-1H-benzimidazole-5-carboxylic acid

Systemtic Name: 3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propyl]-2-sulfanylidene-1H-benzimidazole-5-carboxylic acid Openeye Name: 3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propyl]-2-thioxo-1H-benzimidazole-5-carboxylic acid CAS Name: 3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl]-2-sulfanylidene-1H-benzimidazole-5-carboxylic acid IUPAC Name: 3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl]-2-sulfanylidene-1H-benzimidazole-5-carboxylic acid Traditional Name: 3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propyl]-2-thioxo-1H-benzimidazole-5-carboxylic acid Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCN2C3=C(C=CC(=C3)C(=O)O)NC2=S

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCN2C3=C(C=CC(=C3)C(=O)O)NC2=S

InChI

InChI=1S/C22H24N2O5S/c1-3-5-16-19(9-7-15(13(2)25)20(16)26)29-11-4-10-24-18-12-14(21(27)28)6-8-17(18)23-22(24)30/h6-9,12,26H,3-5,10-11H2,1-2H3,(H,23,30)(H,27,28)