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

Systemtic Name: 3-[2-[3-[(3-chlorophenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[3-[(3-chlorobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[[3-[[(3-chlorophenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[3-[(3-chlorobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[3-[(3-chlorobenzoyl)amino]phenyl]thio]acetyl]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=CC(=C2)NC(=O)C3=CC(=CC=C3)Cl)C(=O)O

Isomeric SMILES

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

InChI

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