4-[2-[4-[(3-chlorophenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-[4-[(3-chlorophenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[4-[(3-chlorobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[[4-[[(3-chlorophenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[4-[(3-chlorobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[4-[(3-chlorobenzoyl)amino]phenyl]thio]acetyl]amino]benzoic acid Formula: C22H17ClN2O4S MolecularWeight: 440.89938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClN2O4S/c23-16-3-1-2-15(12-16)21(27)25-18-8-10-19(11-9-18)30-13-20(26)24-17-6-4-14(5-7-17)22(28)29/h1-12H,13H2,(H,24,26)(H,25,27)(H,28,29)