ethyl 4-[(2-fluorophenyl)methylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(2-fluorophenyl)methylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(2-fluorophenyl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[(2-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-fluorophenyl)methylcarbamothioylamino]benzoate Traditional Name: 4-[(2-fluorobenzyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H17FN2O2S MolecularWeight: 332.392483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2F

InChI

InChI=1S/C17H17FN2O2S/c1-2-22-16(21)12-7-9-14(10-8-12)20-17(23)19-11-13-5-3-4-6-15(13)18/h3-10H,2,11H2,1H3,(H2,19,20,23)