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

Systemtic Name: methyl 3-[[4-[(2-fluorophenyl)carbonylamino]phenyl]carbamothioylamino]benzoate Openeye Name: methyl 3-[[4-[(2-fluorobenzoyl)amino]phenyl]carbamothioylamino]benzoate CAS Name: 3-[[[4-[[(2-fluorophenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(2-fluorobenzoyl)amino]phenyl]carbamothioylamino]benzoate Traditional Name: 3-[[4-[(2-fluorobenzoyl)amino]phenyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C22H18FN3O3S MolecularWeight: 423.460023

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H18FN3O3S/c1-29-21(28)14-5-4-6-17(13-14)26-22(30)25-16-11-9-15(10-12-16)24-20(27)18-7-2-3-8-19(18)23/h2-13H,1H3,(H,24,27)(H2,25,26,30)