2-(4-bromanyl-2-chloranyl-phenoxy)-N-(heptylcarbamothioyl)ethanamide

Systemtic Name: 2-(4-bromanyl-2-chloranyl-phenoxy)-N-(heptylcarbamothioyl)ethanamide Openeye Name: 2-(4-bromo-2-chloro-phenoxy)-N-(heptylcarbamothioyl)acetamide CAS Name: 2-(4-bromo-2-chlorophenoxy)-N-[(heptylamino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-2-chlorophenoxy)-N-(heptylcarbamothioyl)acetamide Traditional Name: 2-(4-bromo-2-chloro-phenoxy)-N-(heptylthiocarbamoyl)acetamide Formula: C16H22BrClN2O2S MolecularWeight: 421.78008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)NC(=O)COC1=C(C=C(C=C1)Br)Cl

Isomeric SMILES

CCCCCCCNC(=S)NC(=O)COC1=C(C=C(C=C1)Br)Cl

InChI

InChI=1S/C16H22BrClN2O2S/c1-2-3-4-5-6-9-19-16(23)20-15(21)11-22-14-8-7-12(17)10-13(14)18/h7-8,10H,2-6,9,11H2,1H3,(H2,19,20,21,23)