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

Systemtic Name: 3-[2-[4-(butanoylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[4-(butanoylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-[[4-(1-oxobutylamino)phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 3-[[2-[4-(butanoylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[(4-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=C(C=C1)SCC(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

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

InChI

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