3-[(2-chloranyl-5-nitro-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: 3-[(2-chloranyl-5-nitro-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 3-[(2-chloro-5-nitro-benzoyl)carbamothioylamino]benzoate CAS Name: 3-[[[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[(2-chloro-5-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 3-[(2-chloro-5-nitro-benzoyl)thiocarbamoylamino]benzoate Formula: C15H9ClN3O5S- MolecularWeight: 378.76706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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