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

Systemtic Name: 5-chloranyl-2-[(2-chloranyl-5-nitro-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 5-chloro-2-[(2-chloro-5-nitro-benzoyl)carbamothioylamino]benzoic acid CAS Name: 5-chloro-2-[[[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[(2-chloro-5-nitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 5-chloro-2-[(2-chloro-5-nitro-benzoyl)thiocarbamoylamino]benzoic acid Formula: C15H9Cl2N3O5S MolecularWeight: 414.22006

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H9Cl2N3O5S/c16-7-1-4-12(10(5-7)14(22)23)18-15(26)19-13(21)9-6-8(20(24)25)2-3-11(9)17/h1-6H,(H,22,23)(H2,18,19,21,26)