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

Systemtic Name: 4-[[3-[2-(4-methylphenyl)sulfanylethanoylamino]phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[3-[[2-(p-tolylsulfanyl)acetyl]amino]benzoyl]amino]benzoic acid CAS Name: 4-[[[3-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoyl]amino]benzoic acid Traditional Name: 4-[[3-[[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=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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