N-(heptylcarbamothioyl)-4-hexoxy-benzamide

Systemtic Name: N-(heptylcarbamothioyl)-4-hexoxy-benzamide Openeye Name: N-(heptylcarbamothioyl)-4-hexoxy-benzamide CAS Name: N-[(heptylamino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-(heptylcarbamothioyl)-4-hexoxybenzamide Traditional Name: N-(heptylthiocarbamoyl)-4-hexoxy-benzamide Formula: C21H34N2O2S MolecularWeight: 378.57186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)NC(=O)C1=CC=C(C=C1)OCCCCCC

Isomeric SMILES

CCCCCCCNC(=S)NC(=O)C1=CC=C(C=C1)OCCCCCC

InChI

InChI=1S/C21H34N2O2S/c1-3-5-7-9-10-16-22-21(26)23-20(24)18-12-14-19(15-13-18)25-17-11-8-6-4-2/h12-15H,3-11,16-17H2,1-2H3,(H2,22,23,24,26)