4-[2-(3-acetamidophenyl)sulfanylbutanoylamino]benzoic acid

Systemtic Name: 4-[2-(3-acetamidophenyl)sulfanylbutanoylamino]benzoic acid Openeye Name: 4-[2-(3-acetamidophenyl)sulfanylbutanoylamino]benzoic acid CAS Name: 4-[[2-[(3-acetamidophenyl)thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[2-(3-acetamidophenyl)sulfanylbutanoylamino]benzoic acid Traditional Name: 4-[2-[(3-acetamidophenyl)thio]butanoylamino]benzoic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=CC=CC(=C2)NC(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=CC=CC(=C2)NC(=O)C

InChI

InChI=1S/C19H20N2O4S/c1-3-17(26-16-6-4-5-15(11-16)20-12(2)22)18(23)21-14-9-7-13(8-10-14)19(24)25/h4-11,17H,3H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)