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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)F

InChI

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