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

Systemtic Name: 3,5-dinitro-N-(propan-2-ylcarbamothioyl)benzamide Openeye Name: N-(isopropylcarbamothioyl)-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[(propan-2-ylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-(propan-2-ylcarbamothioyl)benzamide Traditional Name: N-(isopropylthiocarbamoyl)-3,5-dinitro-benzamide Formula: C11H12N4O5S MolecularWeight: 312.30178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4O5S/c1-6(2)12-11(21)13-10(16)7-3-8(14(17)18)5-9(4-7)15(19)20/h3-6H,1-2H3,(H2,12,13,16,21)