4-[[2-[4-(butanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid

Systemtic Name: 4-[[2-[4-(butanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 4-[[2-[4-(butanoylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-[[4-(1-oxobutylamino)phenyl]thio]-2-phenylethyl]amino]benzoic acid IUPAC Name: 4-[[2-[4-(butanoylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[(4-butyramidophenyl)thio]-2-phenyl-acetyl]amino]benzoic acid Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H24N2O4S/c1-2-6-22(28)26-19-13-15-21(16-14-19)32-23(17-7-4-3-5-8-17)24(29)27-20-11-9-18(10-12-20)25(30)31/h3-5,7-16,23H,2,6H2,1H3,(H,26,28)(H,27,29)(H,30,31)