N-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioyl]-3-bromanyl-4-butoxy-benzamide

Systemtic Name: N-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioyl]-3-bromanyl-4-butoxy-benzamide Openeye Name: 3-bromo-4-butoxy-N-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C21H22Br3N3O4S MolecularWeight: 652.19408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2C)Br)Br)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2C)Br)Br)Br

InChI

InChI=1S/C21H22Br3N3O4S/c1-3-4-7-30-17-6-5-13(9-15(17)23)20(29)25-21(32)27-26-18(28)11-31-19-12(2)8-14(22)10-16(19)24/h5-6,8-10H,3-4,7,11H2,1-2H3,(H,26,28)(H2,25,27,29,32)