4-chloranyl-3-[(2-chloranyl-4-nitro-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: 4-chloranyl-3-[(2-chloranyl-4-nitro-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 4-chloro-3-[(2-chloro-4-nitro-benzoyl)carbamothioylamino]benzoate CAS Name: 4-chloro-3-[[[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-chloro-3-[(2-chloro-4-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-chloro-3-[(2-chloro-4-nitro-benzoyl)thiocarbamoylamino]benzoate Formula: C15H8Cl2N3O5S- MolecularWeight: 413.21212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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