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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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