2-chloranyl-5-[2-[3-(2-phenylethanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[3-(2-phenylethanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 2-chloro-5-[[1-oxo-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]propyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 2-chloro-5-[2-[[3-[(2-phenylacetyl)amino]phenyl]thio]propanoylamino]benzoic acid Formula: C24H21ClN2O4S MolecularWeight: 468.95254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21ClN2O4S/c1-15(23(29)27-18-10-11-21(25)20(14-18)24(30)31)32-19-9-5-8-17(13-19)26-22(28)12-16-6-3-2-4-7-16/h2-11,13-15H,12H2,1H3,(H,26,28)(H,27,29)(H,30,31)