ethyl 3-[(4-fluorophenyl)methylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[(4-fluorophenyl)methylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[(4-fluorophenyl)methylcarbamothioylamino]benzoate CAS Name: 3-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-fluorophenyl)methylcarbamothioylamino]benzoate Traditional Name: 3-[(4-fluorobenzyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H17FN2O2S MolecularWeight: 332.392483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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