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

Systemtic Name: methyl 3-[(4-fluorophenyl)methylcarbamothioylamino]benzoate Openeye Name: methyl 3-[(4-fluorophenyl)methylcarbamothioylamino]benzoate CAS Name: 3-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-fluorophenyl)methylcarbamothioylamino]benzoate Traditional Name: 3-[(4-fluorobenzyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C16H15FN2O2S MolecularWeight: 318.365903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15FN2O2S/c1-21-15(20)12-3-2-4-14(9-12)19-16(22)18-10-11-5-7-13(17)8-6-11/h2-9H,10H2,1H3,(H2,18,19,22)