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

Systemtic Name: 2-[[4-[2-(4-methylphenyl)sulfanylethanoylamino]phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[4-[[2-(p-tolylsulfanyl)acetyl]amino]benzoyl]amino]benzoic acid CAS Name: 2-[[[4-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoyl]amino]benzoic acid Traditional Name: 2-[[4-[[2-(p-tolylthio)acetyl]amino]benzoyl]amino]benzoic acid Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H20N2O4S/c1-15-6-12-18(13-7-15)30-14-21(26)24-17-10-8-16(9-11-17)22(27)25-20-5-3-2-4-19(20)23(28)29/h2-13H,14H2,1H3,(H,24,26)(H,25,27)(H,28,29)