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

Systemtic Name: 2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-[[(2-iodanylphenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[[(2-iodobenzoyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[[[(2-iodophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[[(2-iodobenzoyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[[(2-iodobenzoyl)amino]thiocarbamoyl]acetamide Formula: C20H21BrIN3O3S MolecularWeight: 590.27251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NNC(=O)C2=CC=CC=C2I

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NNC(=O)C2=CC=CC=C2I

InChI

InChI=1S/C20H21BrIN3O3S/c1-11(2)14-9-15(21)12(3)8-17(14)28-10-18(26)23-20(29)25-24-19(27)13-6-4-5-7-16(13)22/h4-9,11H,10H2,1-3H3,(H,24,27)(H2,23,25,26,29)