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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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