3-bromanyl-4-butoxy-N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[(3-iodo-4-methoxy-benzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[(3-iodo-4-methoxy-benzoyl)amino]thiocarbamoyl]benzamide Formula: C20H21BrIN3O4S MolecularWeight: 606.27191

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrIN3O4S/c1-3-4-9-29-16-7-5-12(10-14(16)21)18(26)23-20(30)25-24-19(27)13-6-8-17(28-2)15(22)11-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,24,27)(H2,23,25,26,30)