2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-(1-phenylethylcarbamothioyl)ethanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-(1-phenylethylcarbamothioyl)ethanamide Openeye Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-(1-phenylethylcarbamothioyl)acetamide CAS Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(1-phenylethylamino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(1-phenylethylcarbamothioyl)acetamide Traditional Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-(1-phenylethylthiocarbamoyl)acetamide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NC(C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NC(C)C2=CC=CC=C2

InChI

InChI=1S/C21H25BrN2O2S/c1-13(2)17-11-18(22)14(3)10-19(17)26-12-20(25)24-21(27)23-15(4)16-8-6-5-7-9-16/h5-11,13,15H,12H2,1-4H3,(H2,23,24,25,27)