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

Systemtic Name: ethyl 4-[(4-fluorophenyl)methylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-fluorophenyl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-fluorophenyl)methylcarbamothioylamino]benzoate Traditional Name: 4-[(4-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=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)F

InChI

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