N-(butan-2-ylcarbamothioyl)-3,5-dinitro-benzamide

Systemtic Name: N-(butan-2-ylcarbamothioyl)-3,5-dinitro-benzamide Openeye Name: 3,5-dinitro-N-(sec-butylcarbamothioyl)benzamide CAS Name: N-[(butan-2-ylamino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-(butan-2-ylcarbamothioyl)-3,5-dinitrobenzamide Traditional Name: 3,5-dinitro-N-(sec-butylthiocarbamoyl)benzamide Formula: C12H14N4O5S MolecularWeight: 326.32836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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