2-(4-bromanyl-3-methyl-phenoxy)-N-(hexadecylcarbamothioyl)ethanamide

Systemtic Name: 2-(4-bromanyl-3-methyl-phenoxy)-N-(hexadecylcarbamothioyl)ethanamide Openeye Name: 2-(4-bromo-3-methyl-phenoxy)-N-(hexadecylcarbamothioyl)acetamide CAS Name: 2-(4-bromo-3-methylphenoxy)-N-[(hexadecylamino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-3-methylphenoxy)-N-(hexadecylcarbamothioyl)acetamide Traditional Name: 2-(4-bromo-3-methyl-phenoxy)-N-(cetylthiocarbamoyl)acetamide Formula: C26H43BrN2O2S MolecularWeight: 527.60082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NC(=O)COC1=CC(=C(C=C1)Br)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)NC(=O)COC1=CC(=C(C=C1)Br)C

InChI

InChI=1S/C26H43BrN2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-26(32)29-25(30)21-31-23-17-18-24(27)22(2)20-23/h17-18,20H,3-16,19,21H2,1-2H3,(H2,28,29,30,32)