methyl 4-[[(E)-(4-fluorophenyl)methylideneamino]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[(E)-(4-fluorophenyl)methylideneamino]carbamothioylamino]benzoate Openeye Name: methyl 4-[[(E)-(4-fluorophenyl)methyleneamino]carbamothioylamino]benzoate CAS Name: 4-[[[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-(4-fluorophenyl)methylideneamino]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-(4-fluorobenzylidene)amino]thiocarbamoylamino]benzoic acid methyl ester Formula: C16H14FN3O2S MolecularWeight: 331.364663

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NN=CC2=CC=C(C=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C16H14FN3O2S/c1-22-15(21)12-4-8-14(9-5-12)19-16(23)20-18-10-11-2-6-13(17)7-3-11/h2-10H,1H3,(H2,19,20,23)/b18-10+