methyl 4-[(4-chloranyl-2-fluoranyl-phenyl)methylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(4-chloranyl-2-fluoranyl-phenyl)methylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(4-chloro-2-fluoro-phenyl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[(4-chloro-2-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-chloro-2-fluorophenyl)methylcarbamothioylamino]benzoate Traditional Name: 4-[(4-chloro-2-fluoro-benzyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C16H14ClFN2O2S MolecularWeight: 352.810963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClFN2O2S/c1-22-15(21)10-3-6-13(7-4-10)20-16(23)19-9-11-2-5-12(17)8-14(11)18/h2-8H,9H2,1H3,(H2,19,20,23)