3-[[2-[3-(butanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid

Systemtic Name: 3-[[2-[3-(butanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 3-[[2-[3-(butanoylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-[[3-(1-oxobutylamino)phenyl]thio]-2-phenylethyl]amino]benzoic acid IUPAC Name: 3-[[2-[3-(butanoylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[(3-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(=CC=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

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

InChI

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