N-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioyl]-5-bromanyl-2-phenethyloxy-benzamide

Systemtic Name: N-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioyl]-5-bromanyl-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C25H22Br3N3O4S MolecularWeight: 700.23688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)Br)Br

InChI

InChI=1S/C25H22Br3N3O4S/c1-15-11-18(27)13-20(28)23(15)35-14-22(32)30-31-25(36)29-24(33)19-12-17(26)7-8-21(19)34-10-9-16-5-3-2-4-6-16/h2-8,11-13H,9-10,14H2,1H3,(H,30,32)(H2,29,31,33,36)