2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-[(2-phenylethanoylamino)carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-[(2-phenylethanoylamino)carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[[(2-phenylacetyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[[(2-phenylacetyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[[(2-phenylacetyl)amino]thiocarbamoyl]acetamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NNC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NNC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H24BrN3O3S/c1-13(2)16-11-17(22)14(3)9-18(16)28-12-20(27)23-21(29)25-24-19(26)10-15-7-5-4-6-8-15/h4-9,11,13H,10,12H2,1-3H3,(H,24,26)(H2,23,25,27,29)