4-chloranyl-3-[(2-chloranyl-5-nitro-phenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[(2-chloranyl-5-nitro-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-chloro-3-[(2-chloro-5-nitro-benzoyl)carbamothioylamino]benzoic acid CAS Name: 4-chloro-3-[[[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[(2-chloro-5-nitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-chloro-3-[(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=C1C(=O)O)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)Cl

InChI

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