methyl 4-[[(E)-(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[(E)-(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]carbamothioylamino]benzoate Openeye Name: methyl 4-[[(E)-(2-chloro-6-fluoro-phenyl)methyleneamino]carbamothioylamino]benzoate CAS Name: 4-[[[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-(2-chloro-6-fluorophenyl)methylideneamino]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-(2-chloro-6-fluoro-benzylidene)amino]thiocarbamoylamino]benzoic acid methyl ester Formula: C16H13ClFN3O2S MolecularWeight: 365.809723

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NN=CC2=C(C=CC=C2Cl)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N/N=C/C2=C(C=CC=C2Cl)F

InChI

InChI=1S/C16H13ClFN3O2S/c1-23-15(22)10-5-7-11(8-6-10)20-16(24)21-19-9-12-13(17)3-2-4-14(12)18/h2-9H,1H3,(H2,20,21,24)/b19-9+