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

Systemtic Name: 3-[2-[3-[(4-fluorophenyl)carbonylamino]phenyl]sulfanylbutanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[2-[3-[(4-fluorobenzoyl)amino]phenyl]sulfanylbutanoylamino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[3-[[(4-fluorophenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[2-[3-[(4-fluorobenzoyl)amino]phenyl]sulfanylbutanoylamino]-4-methylbenzoic acid Traditional Name: 3-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]thio]butanoylamino]-4-methyl-benzoic acid Formula: C25H23FN2O4S MolecularWeight: 466.524523

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C25H23FN2O4S/c1-3-22(24(30)28-21-13-17(25(31)32)8-7-15(21)2)33-20-6-4-5-19(14-20)27-23(29)16-9-11-18(26)12-10-16/h4-14,22H,3H2,1-2H3,(H,27,29)(H,28,30)(H,31,32)