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

Systemtic Name: butyl 4-[2-[3-[(2-fluorophenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoate Openeye Name: butyl 4-[2-[3-[(2-fluorobenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(2-fluorophenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-[(2-fluorobenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-[(2-fluorobenzoyl)amino]phenyl]thio]butanoylamino]benzoic acid butyl ester Formula: C28H29FN2O4S MolecularWeight: 508.604263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C28H29FN2O4S/c1-3-5-17-35-28(34)19-13-15-20(16-14-19)30-27(33)25(4-2)36-22-10-8-9-21(18-22)31-26(32)23-11-6-7-12-24(23)29/h6-16,18,25H,3-5,17H2,1-2H3,(H,30,33)(H,31,32)