ethyl 4-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[(2-bromo-4,6-difluoro-phenyl)carbamothioylamino]benzoate CAS Name: 4-[[(2-bromo-4,6-difluoroanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-bromo-4,6-difluorophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-bromo-4,6-difluoro-phenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C16H13BrF2N2O2S MolecularWeight: 415.252426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2Br)F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2Br)F)F

InChI

InChI=1S/C16H13BrF2N2O2S/c1-2-23-15(22)9-3-5-11(6-4-9)20-16(24)21-14-12(17)7-10(18)8-13(14)19/h3-8H,2H2,1H3,(H2,20,21,24)