N-(diethylcarbamothioyl)-3,5-dinitro-benzamide

Systemtic Name: N-(diethylcarbamothioyl)-3,5-dinitro-benzamide Openeye Name: N-(diethylcarbamothioyl)-3,5-dinitro-benzamide CAS Name: N-[diethylamino(sulfanylidene)methyl]-3,5-dinitrobenzamide IUPAC Name: N-(diethylcarbamothioyl)-3,5-dinitrobenzamide Traditional Name: N-(diethylthiocarbamoyl)-3,5-dinitro-benzamide Formula: C12H14N4O5S MolecularWeight: 326.32836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O5S/c1-3-14(4-2)12(22)13-11(17)8-5-9(15(18)19)7-10(6-8)16(20)21/h5-7H,3-4H2,1-2H3,(H,13,17,22)