3-[2-[4-[(4-fluorophenyl)carbonylamino]phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-[4-[(4-fluorophenyl)carbonylamino]phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[2-[4-[(4-fluorobenzoyl)amino]phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[4-[[(4-fluorophenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[2-[4-[(4-fluorobenzoyl)amino]phenyl]sulfanylpropanoylamino]-4-methylbenzoic acid Traditional Name: 3-[2-[[4-[(4-fluorobenzoyl)amino]phenyl]thio]propanoylamino]-4-methyl-benzoic acid Formula: C24H21FN2O4S MolecularWeight: 452.497943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H21FN2O4S/c1-14-3-4-17(24(30)31)13-21(14)27-22(28)15(2)32-20-11-9-19(10-12-20)26-23(29)16-5-7-18(25)8-6-16/h3-13,15H,1-2H3,(H,26,29)(H,27,28)(H,30,31)