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

Systemtic Name: ethyl 4-[2-[3-[(4-fluorophenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoate Openeye Name: ethyl 4-[2-[3-[(4-fluorobenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(4-fluorophenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-[(4-fluorobenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]thio]butanoylamino]benzoic acid ethyl ester Formula: C26H25FN2O4S MolecularWeight: 480.551103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25FN2O4S/c1-3-23(25(31)28-20-14-10-18(11-15-20)26(32)33-4-2)34-22-7-5-6-21(16-22)29-24(30)17-8-12-19(27)13-9-17/h5-16,23H,3-4H2,1-2H3,(H,28,31)(H,29,30)