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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C(=O)O)Br

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C(=O)O)Br

InChI

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