5-[2-[4-[(4-methylphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[4-[(4-methylphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[2-[4-[(4-methylbenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 2-hydroxy-5-[[2-[[4-[[(4-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[2-[4-[(4-methylbenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 2-hydroxy-5-[2-[[4-(p-toluoylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SC(C)C(=O)NC3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SC(C)C(=O)NC3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C24H22N2O5S/c1-14-3-5-16(6-4-14)23(29)25-17-7-10-19(11-8-17)32-15(2)22(28)26-18-9-12-21(27)20(13-18)24(30)31/h3-13,15,27H,1-2H3,(H,25,29)(H,26,28)(H,30,31)