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

Systemtic Name: 3-[2-[3-(2-phenylethanoylamino)phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 3-[2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 3-[[1-oxo-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]butyl]amino]benzoic acid IUPAC Name: 3-[2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 3-[2-[[3-[(2-phenylacetyl)amino]phenyl]thio]butanoylamino]benzoic acid Formula: C25H24N2O4S MolecularWeight: 448.53406

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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)CC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

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