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

Systemtic Name: 2-[[4-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-methyl-phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-methyl-benzoyl]amino]benzoic acid CAS Name: 2-[[[4-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-3-methylphenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-methylbenzoyl]amino]benzoic acid Traditional Name: 2-[[4-[[2-[(4-chlorophenyl)thio]acetyl]amino]-3-methyl-benzoyl]amino]benzoic acid Formula: C23H19ClN2O4S MolecularWeight: 454.92596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)O)NC(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)O)NC(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H19ClN2O4S/c1-14-12-15(22(28)26-20-5-3-2-4-18(20)23(29)30)6-11-19(14)25-21(27)13-31-17-9-7-16(24)8-10-17/h2-12H,13H2,1H3,(H,25,27)(H,26,28)(H,29,30)