N-(tert-butylcarbamothioyl)-3,5-dinitro-benzamide

Systemtic Name: N-(tert-butylcarbamothioyl)-3,5-dinitro-benzamide Openeye Name: N-(tert-butylcarbamothioyl)-3,5-dinitro-benzamide CAS Name: N-[(tert-butylamino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-(tert-butylcarbamothioyl)-3,5-dinitrobenzamide Traditional Name: N-(tert-butylthiocarbamoyl)-3,5-dinitro-benzamide Formula: C12H14N4O5S MolecularWeight: 326.32836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O5S/c1-12(2,3)14-11(22)13-10(17)7-4-8(15(18)19)6-9(5-7)16(20)21/h4-6H,1-3H3,(H2,13,14,17,22)