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

Systemtic Name: 2-(4-bromanyl-2-chloranyl-phenoxy)-N-(hexadecylcarbamothioyl)ethanamide Openeye Name: 2-(4-bromo-2-chloro-phenoxy)-N-(hexadecylcarbamothioyl)acetamide CAS Name: 2-(4-bromo-2-chlorophenoxy)-N-[(hexadecylamino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-2-chlorophenoxy)-N-(hexadecylcarbamothioyl)acetamide Traditional Name: 2-(4-bromo-2-chloro-phenoxy)-N-(cetylthiocarbamoyl)acetamide Formula: C25H40BrClN2O2S MolecularWeight: 548.0193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40BrClN2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-28-25(32)29-24(30)20-31-23-17-16-21(26)19-22(23)27/h16-17,19H,2-15,18,20H2,1H3,(H2,28,29,30,32)