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

Systemtic Name: 3-[2-[4-[(3-methylphenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[4-[(3-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[[4-[[(3-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[4-[(3-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[4-(m-toluoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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