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

Systemtic Name: 4-chloranyl-2-[2-[4-(2-phenylethanoylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-chloro-2-[[2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-chloro-2-[[1-oxo-2-[[4-[(1-oxo-2-phenylethyl)amino]phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-chloro-2-[[2-[[4-[(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=C(C=C2)SCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)O

Isomeric SMILES

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

InChI

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