3-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: 3-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 3-[(5-bromo-2-chloro-benzoyl)carbamothioylamino]benzoate CAS Name: 3-[[[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]benzoate Traditional Name: 3-[(5-bromo-2-chloro-benzoyl)thiocarbamoylamino]benzoate Formula: C15H9BrClN2O3S- MolecularWeight: 412.66556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl)C(=O)[O-]

InChI

InChI=1S/C15H10BrClN2O3S/c16-9-4-5-12(17)11(7-9)13(20)19-15(23)18-10-3-1-2-8(6-10)14(21)22/h1-7H,(H,21,22)(H2,18,19,20,23)/p-1