methyl 4-[(3-bromanyl-4-fluoranyl-phenyl)methylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(3-bromanyl-4-fluoranyl-phenyl)methylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(3-bromo-4-fluoro-phenyl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[(3-bromo-4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-bromo-4-fluorophenyl)methylcarbamothioylamino]benzoate Traditional Name: 4-[(3-bromo-4-fluoro-benzyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C16H14BrFN2O2S MolecularWeight: 397.261963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrFN2O2S/c1-22-15(21)11-3-5-12(6-4-11)20-16(23)19-9-10-2-7-14(18)13(17)8-10/h2-8H,9H2,1H3,(H2,19,20,23)