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

Systemtic Name: 2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]acetamide CAS Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoyl]acetamide Formula: C21H23BrN4O6S MolecularWeight: 539.39952

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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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H23BrN4O6S/c1-12(2)16-9-17(22)13(3)8-18(16)32-10-19(27)23-21(33)25-24-20(28)11-31-15-6-4-14(5-7-15)26(29)30/h4-9,12H,10-11H2,1-3H3,(H,24,28)(H2,23,25,27,33)