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

Systemtic Name: N-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C22H25Br2N3O4S MolecularWeight: 587.3246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2C)Br)Br

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2C)Br)Br

InChI

InChI=1S/C22H25Br2N3O4S/c1-3-4-5-10-30-17-8-6-15(7-9-17)21(29)25-22(32)27-26-19(28)13-31-20-14(2)11-16(23)12-18(20)24/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,26,28)(H2,25,27,29,32)