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

Systemtic Name: N-(cyclohexylcarbamothioyl)-3,5-dinitro-benzamide Openeye Name: N-(cyclohexylcarbamothioyl)-3,5-dinitro-benzamide CAS Name: N-[(cyclohexylamino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-(cyclohexylcarbamothioyl)-3,5-dinitrobenzamide Traditional Name: N-(cyclohexylthiocarbamoyl)-3,5-dinitro-benzamide Formula: C14H16N4O5S MolecularWeight: 352.36564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O5S/c19-13(16-14(24)15-10-4-2-1-3-5-10)9-6-11(17(20)21)8-12(7-9)18(22)23/h6-8,10H,1-5H2,(H2,15,16,19,24)