4-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]-2-chloranyl-benzoic acid

Systemtic Name: 4-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]-2-chloranyl-benzoic acid Openeye Name: 4-[(5-bromo-2-chloro-benzoyl)carbamothioylamino]-2-chloro-benzoic acid CAS Name: 4-[[[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-chlorobenzoic acid IUPAC Name: 4-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-2-chlorobenzoic acid Traditional Name: 4-[(5-bromo-2-chloro-benzoyl)thiocarbamoylamino]-2-chloro-benzoic acid Formula: C15H9BrCl2N2O3S MolecularWeight: 448.11856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9BrCl2N2O3S/c16-7-1-4-11(17)10(5-7)13(21)20-15(24)19-8-2-3-9(14(22)23)12(18)6-8/h1-6H,(H,22,23)(H2,19,20,21,24)