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

Systemtic Name: 2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)-N-[[2-(4-chloranylphenoxy)ethanoylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[[[2-(4-chlorophenoxy)acetyl]amino]carbamothioyl]acetamide CAS Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[[[2-(4-chlorophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[[[2-(4-chlorophenoxy)acetyl]amino]carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-isopropyl-5-methyl-phenoxy)-N-[[[2-(4-chlorophenoxy)acetyl]amino]thiocarbamoyl]acetamide Formula: C21H23BrClN3O4S MolecularWeight: 528.84702

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrClN3O4S/c1-12(2)16-9-17(22)13(3)8-18(16)30-10-19(27)24-21(31)26-25-20(28)11-29-15-6-4-14(23)5-7-15/h4-9,12H,10-11H2,1-3H3,(H,25,28)(H2,24,26,27,31)