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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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