3-bromanyl-N-(2-diethylaminoethylcarbamothioyl)-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-(2-diethylaminoethylcarbamothioyl)-4-hexoxy-benzamide Openeye Name: 3-bromo-N-(2-diethylaminoethylcarbamothioyl)-4-hexoxy-benzamide CAS Name: 3-bromo-N-[(2-diethylaminoethylamino)-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-(2-diethylaminoethylcarbamothioyl)-4-hexoxybenzamide Traditional Name: 3-bromo-N-(2-diethylaminoethylthiocarbamoyl)-4-hexoxy-benzamide Formula: C20H32BrN3O2S MolecularWeight: 458.45598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCCN(CC)CC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCCN(CC)CC)Br

InChI

InChI=1S/C20H32BrN3O2S/c1-4-7-8-9-14-26-18-11-10-16(15-17(18)21)19(25)23-20(27)22-12-13-24(5-2)6-3/h10-11,15H,4-9,12-14H2,1-3H3,(H2,22,23,25,27)