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

Systemtic Name: 2-(2-bromanyl-4-ethyl-phenoxy)-N-(hexadecylcarbamothioyl)ethanamide Openeye Name: 2-(2-bromo-4-ethyl-phenoxy)-N-(hexadecylcarbamothioyl)acetamide CAS Name: 2-(2-bromo-4-ethylphenoxy)-N-[(hexadecylamino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2-bromo-4-ethylphenoxy)-N-(hexadecylcarbamothioyl)acetamide Traditional Name: 2-(2-bromo-4-ethyl-phenoxy)-N-(cetylthiocarbamoyl)acetamide Formula: C27H45BrN2O2S MolecularWeight: 541.6274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45BrN2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-27(33)30-26(31)22-32-25-19-18-23(4-2)21-24(25)28/h18-19,21H,3-17,20,22H2,1-2H3,(H2,29,30,31,33)