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

Systemtic Name: 2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-[[(2-methylphenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[[(2-methylbenzoyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[[[(2-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[[(2-methylbenzoyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[(o-toluoylamino)thiocarbamoyl]acetamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)COC2=C(C=C(C(=C2)C)Br)C(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)COC2=C(C=C(C(=C2)C)Br)C(C)C

InChI

InChI=1S/C21H24BrN3O3S/c1-12(2)16-10-17(22)14(4)9-18(16)28-11-19(26)23-21(29)25-24-20(27)15-8-6-5-7-13(15)3/h5-10,12H,11H2,1-4H3,(H,24,27)(H2,23,25,26,29)