N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]-3,5-dinitro-benzamide Formula: C16H18N4O5S MolecularWeight: 378.40292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O5S/c21-15(12-8-13(19(22)23)10-14(9-12)20(24)25)18-16(26)17-7-6-11-4-2-1-3-5-11/h4,8-10H,1-3,5-7H2,(H2,17,18,21,26)