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

Systemtic Name: 2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-[(2-phenoxyethanoylamino)carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[[(2-phenoxyacetyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[[(1-oxo-2-phenoxyethyl)hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[[(2-phenoxyacetyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[[(2-phenoxyacetyl)amino]thiocarbamoyl]acetamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NNC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NNC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H24BrN3O4S/c1-13(2)16-10-17(22)14(3)9-18(16)29-11-19(26)23-21(30)25-24-20(27)12-28-15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3,(H,24,27)(H2,23,25,26,30)