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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=S)NC(=O)COC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=S)NC(=O)COC2=C(C=C(C=C2)Br)Cl

InChI

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