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

Systemtic Name: 5-bromanyl-2-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 5-bromo-2-[(5-bromo-2-chloro-benzoyl)carbamothioylamino]benzoic acid CAS Name: 5-bromo-2-[[[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 5-bromo-2-[(5-bromo-2-chloro-benzoyl)thiocarbamoylamino]benzoic acid Formula: C15H9Br2ClN2O3S MolecularWeight: 492.56956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)O)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)O)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl

InChI

InChI=1S/C15H9Br2ClN2O3S/c16-7-1-3-11(18)9(5-7)13(21)20-15(24)19-12-4-2-8(17)6-10(12)14(22)23/h1-6H,(H,22,23)(H2,19,20,21,24)