2-(4-bromanyl-2-methyl-phenoxy)-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-methyl-phenoxy)-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenoxy)-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-bromo-2-methylphenoxy)-N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenoxy)-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-methyl-phenoxy)-N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]acetamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

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