5-bromanyl-N-[[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]carbamothioyl]-2-(2-methoxyethoxy)benzamide

Systemtic Name: 5-bromanyl-N-[[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]carbamothioyl]-2-(2-methoxyethoxy)benzamide Openeye Name: 5-bromo-N-[[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]carbamothioyl]-2-(2-methoxyethoxy)benzamide CAS Name: 5-bromo-N-[[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-(2-methoxyethoxy)benzamide IUPAC Name: 5-bromo-N-[[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-2-(2-methoxyethoxy)benzamide Traditional Name: 5-bromo-N-[[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]thiocarbamoyl]-2-(2-methoxyethoxy)benzamide Formula: C21H23BrClN3O5S MolecularWeight: 544.84642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCOC

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCOC

InChI

InChI=1S/C21H23BrClN3O5S/c1-12-8-15(9-13(2)19(12)23)31-11-18(27)25-26-21(32)24-20(28)16-10-14(22)4-5-17(16)30-7-6-29-3/h4-5,8-10H,6-7,11H2,1-3H3,(H,25,27)(H2,24,26,28,32)