N-[[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoylamino]carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: N-[[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoylamino]carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[[[2-(2-bromo-4-chloro-phenoxy)acetyl]amino]carbamothioyl]-2-hexoxy-benzamide CAS Name: N-[[[2-(2-bromo-4-chlorophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamothioyl]-2-hexoxybenzamide Traditional Name: N-[[[2-(2-bromo-4-chloro-phenoxy)acetyl]amino]thiocarbamoyl]-2-hexoxy-benzamide Formula: C22H25BrClN3O4S MolecularWeight: 542.8736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Cl)Br

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Cl)Br

InChI

InChI=1S/C22H25BrClN3O4S/c1-2-3-4-7-12-30-18-9-6-5-8-16(18)21(29)25-22(32)27-26-20(28)14-31-19-11-10-15(24)13-17(19)23/h5-6,8-11,13H,2-4,7,12,14H2,1H3,(H,26,28)(H2,25,27,29,32)