methyl 2-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 2-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 2-[(5-bromo-2-chloro-benzoyl)carbamothioylamino]benzoate CAS Name: 2-[[[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]benzoate Traditional Name: 2-[(5-bromo-2-chloro-benzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C16H12BrClN2O3S MolecularWeight: 427.70008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl

InChI

InChI=1S/C16H12BrClN2O3S/c1-23-15(22)10-4-2-3-5-13(10)19-16(24)20-14(21)11-8-9(17)6-7-12(11)18/h2-8H,1H3,(H2,19,20,21,24)