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

Systemtic Name: N-[[2-[2,4-bis(bromanyl)phenoxy]ethanoylamino]carbamothioyl]-3-bromanyl-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[[2-(2,4-dibromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[[2-(2,4-dibromophenoxy)acetyl]amino]thiocarbamoyl]-4-hexoxy-benzamide Formula: C22H24Br3N3O4S MolecularWeight: 666.22066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24Br3N3O4S/c1-2-3-4-5-10-31-18-8-6-14(11-16(18)24)21(30)26-22(33)28-27-20(29)13-32-19-9-7-15(23)12-17(19)25/h6-9,11-12H,2-5,10,13H2,1H3,(H,27,29)(H2,26,28,30,33)