3-[2-[3-(2-phenoxyethanoylamino)phenyl]sulfanylbutanoylamino]benzoic acid

Systemtic Name: 3-[2-[3-(2-phenoxyethanoylamino)phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 3-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 3-[[1-oxo-2-[[3-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]butyl]amino]benzoic acid IUPAC Name: 3-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 3-[2-[[3-[(2-phenoxyacetyl)amino]phenyl]thio]butanoylamino]benzoic acid Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C25H24N2O5S/c1-2-22(24(29)27-18-9-6-8-17(14-18)25(30)31)33-21-13-7-10-19(15-21)26-23(28)16-32-20-11-4-3-5-12-20/h3-15,22H,2,16H2,1H3,(H,26,28)(H,27,29)(H,30,31)