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

Systemtic Name: N-(heptylcarbamothioyl)-3,5-dinitro-benzamide Openeye Name: N-(heptylcarbamothioyl)-3,5-dinitro-benzamide CAS Name: N-[(heptylamino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-(heptylcarbamothioyl)-3,5-dinitrobenzamide Traditional Name: N-(heptylthiocarbamoyl)-3,5-dinitro-benzamide Formula: C15H20N4O5S MolecularWeight: 368.4081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O5S/c1-2-3-4-5-6-7-16-15(25)17-14(20)11-8-12(18(21)22)10-13(9-11)19(23)24/h8-10H,2-7H2,1H3,(H2,16,17,20,25)