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

Systemtic Name: 5-[(2-bromanyl-5-nitro-phenyl)carbonylcarbamothioylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[(2-bromo-5-nitro-benzoyl)carbamothioylamino]-2-chloro-benzoic acid CAS Name: 5-[[[[(2-bromo-5-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[(2-bromo-5-nitrobenzoyl)carbamothioylamino]-2-chlorobenzoic acid Traditional Name: 5-[(2-bromo-5-nitro-benzoyl)thiocarbamoylamino]-2-chloro-benzoic acid Formula: C15H9BrClN3O5S MolecularWeight: 458.67106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Br)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Br)C(=O)O)Cl

InChI

InChI=1S/C15H9BrClN3O5S/c16-11-3-2-8(20(24)25)6-9(11)13(21)19-15(26)18-7-1-4-12(17)10(5-7)14(22)23/h1-6H,(H,22,23)(H2,18,19,21,26)