4-nitro-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 4-nitro-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-4-nitro-benzamide Formula: C14H10N4O6S MolecularWeight: 362.3174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C14H10N4O6S/c19-12-6-5-10(18(23)24)7-11(12)15-14(25)16-13(20)8-1-3-9(4-2-8)17(21)22/h1-7,19H,(H2,15,16,20,25)