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

Systemtic Name: methyl 2-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]benzoate Openeye Name: methyl 2-[(4-bromo-2-chloro-phenyl)carbamothioylamino]benzoate CAS Name: 2-[[(4-bromo-2-chloroanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-2-chlorophenyl)carbamothioylamino]benzoate Traditional Name: 2-[(4-bromo-2-chloro-phenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C15H12BrClN2O2S MolecularWeight: 399.68998

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C15H12BrClN2O2S/c1-21-14(20)10-4-2-3-5-12(10)18-15(22)19-13-7-6-9(16)8-11(13)17/h2-8H,1H3,(H2,18,19,22)