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

Systemtic Name: 3-bromanyl-N-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioyl]-4-butoxy-benzamide Openeye Name: 3-bromo-N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-4-butoxy-benzamide CAS Name: 3-bromo-N-[[[2-(4-bromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-butoxybenzamide IUPAC Name: 3-bromo-N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-4-butoxybenzamide Traditional Name: 3-bromo-N-[[[2-(4-bromophenoxy)acetyl]amino]thiocarbamoyl]-4-butoxy-benzamide Formula: C20H21Br2N3O4S MolecularWeight: 559.27144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)Br)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)Br)Br

InChI

InChI=1S/C20H21Br2N3O4S/c1-2-3-10-28-17-9-4-13(11-16(17)22)19(27)23-20(30)25-24-18(26)12-29-15-7-5-14(21)6-8-15/h4-9,11H,2-3,10,12H2,1H3,(H,24,26)(H2,23,25,27,30)