5-bromanyl-2-butoxy-N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[[(3-iodo-4-methoxy-benzoyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[[(3-iodo-4-methoxy-benzoyl)amino]thiocarbamoyl]benzamide Formula: C20H21BrIN3O4S MolecularWeight: 606.27191

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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