3-bromanyl-N-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[[2-(4-bromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[[2-(4-bromophenoxy)acetyl]amino]thiocarbamoyl]-4-hexoxy-benzamide Formula: C22H25Br2N3O4S MolecularWeight: 587.3246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)Br)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)Br)Br

InChI

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