2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-(hexadecylcarbamothioyl)ethanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-(hexadecylcarbamothioyl)ethanamide Openeye Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-(hexadecylcarbamothioyl)acetamide CAS Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(hexadecylamino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(hexadecylcarbamothioyl)acetamide Traditional Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-(cetylthiocarbamoyl)acetamide Formula: C29H49BrN2O2S MolecularWeight: 569.68056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H49BrN2O2S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31-29(35)32-28(33)22-34-27-20-24(4)26(30)21-25(27)23(2)3/h20-21,23H,5-19,22H2,1-4H3,(H2,31,32,33,35)