3,5-dinitro-N-(prop-2-enylcarbamothioyl)benzamide

Systemtic Name: 3,5-dinitro-N-(prop-2-enylcarbamothioyl)benzamide Openeye Name: N-(allylcarbamothioyl)-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[(prop-2-enylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-(prop-2-enylcarbamothioyl)benzamide Traditional Name: N-(allylthiocarbamoyl)-3,5-dinitro-benzamide Formula: C11H10N4O5S MolecularWeight: 310.2859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N4O5S/c1-2-3-12-11(21)13-10(16)7-4-8(14(17)18)6-9(5-7)15(19)20/h2,4-6H,1,3H2,(H2,12,13,16,21)