4-[2-[3-(butanoylamino)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-[3-(butanoylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[3-(butanoylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-[[3-(1-oxobutylamino)phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 4-[[2-[3-(butanoylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[(3-butyramidophenyl)thio]acetyl]amino]benzoic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H20N2O4S/c1-2-4-17(22)21-15-5-3-6-16(11-15)26-12-18(23)20-14-9-7-13(8-10-14)19(24)25/h3,5-11H,2,4,12H2,1H3,(H,20,23)(H,21,22)(H,24,25)