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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

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