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

Systemtic Name: 4-[(2-chloranyl-4-nitro-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 4-[(2-chloro-4-nitro-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-[(2-chloro-4-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-chloro-4-nitro-benzoyl)thiocarbamoylamino]benzoate Formula: C15H9ClN3O5S- MolecularWeight: 378.76706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10ClN3O5S/c16-12-7-10(19(23)24)5-6-11(12)13(20)18-15(25)17-9-3-1-8(2-4-9)14(21)22/h1-7H,(H,21,22)(H2,17,18,20,25)/p-1