2-[2,4-bis(bromanyl)-6-methyl-phenoxy]-N-(hexadecylcarbamothioyl)ethanamide

Systemtic Name: 2-[2,4-bis(bromanyl)-6-methyl-phenoxy]-N-(hexadecylcarbamothioyl)ethanamide Openeye Name: 2-(2,4-dibromo-6-methyl-phenoxy)-N-(hexadecylcarbamothioyl)acetamide CAS Name: 2-(2,4-dibromo-6-methylphenoxy)-N-[(hexadecylamino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2,4-dibromo-6-methylphenoxy)-N-(hexadecylcarbamothioyl)acetamide Traditional Name: N-(cetylthiocarbamoyl)-2-(2,4-dibromo-6-methyl-phenoxy)acetamide Formula: C26H42Br2N2O2S MolecularWeight: 606.49688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NC(=O)COC1=C(C=C(C=C1C)Br)Br

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)NC(=O)COC1=C(C=C(C=C1C)Br)Br

InChI

InChI=1S/C26H42Br2N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29-26(33)30-24(31)20-32-25-21(2)18-22(27)19-23(25)28/h18-19H,3-17,20H2,1-2H3,(H2,29,30,31,33)