ethyl 3-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 3-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]benzoate Openeye Name: ethyl 3-[(4-bromo-2-chloro-phenyl)carbamothioylamino]benzoate CAS Name: 3-[[(4-bromo-2-chloroanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-bromo-2-chlorophenyl)carbamothioylamino]benzoate Traditional Name: 3-[(4-bromo-2-chloro-phenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C16H14BrClN2O2S MolecularWeight: 413.71656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C16H14BrClN2O2S/c1-2-22-15(21)10-4-3-5-12(8-10)19-16(23)20-14-7-6-11(17)9-13(14)18/h3-9H,2H2,1H3,(H2,19,20,23)