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

Systemtic Name: methyl 3-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]benzoate Openeye Name: methyl 3-[(4-bromo-2-chloro-phenyl)carbamothioylamino]benzoate CAS Name: 3-[[(4-bromo-2-chloroanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-bromo-2-chlorophenyl)carbamothioylamino]benzoate Traditional Name: 3-[(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=C1)NC(=S)NC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

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

InChI

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