4-chloranyl-3-[2-[3-(2-phenylethanoylamino)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-[3-(2-phenylethanoylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[1-oxo-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-[[3-[(2-phenylacetyl)amino]phenyl]thio]acetyl]amino]benzoic acid Formula: C23H19ClN2O4S MolecularWeight: 454.92596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC2=CC(=CC=C2)SCC(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC2=CC(=CC=C2)SCC(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C23H19ClN2O4S/c24-19-10-9-16(23(29)30)12-20(19)26-22(28)14-31-18-8-4-7-17(13-18)25-21(27)11-15-5-2-1-3-6-15/h1-10,12-13H,11,14H2,(H,25,27)(H,26,28)(H,29,30)