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

Systemtic Name: 3-bromanyl-N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[(3-iodo-4-methoxy-benzoyl)amino]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[(3-iodo-4-methoxy-benzoyl)amino]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C24H21BrIN3O4S MolecularWeight: 654.31471

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br)I

InChI

InChI=1S/C24H21BrIN3O4S/c1-32-21-10-8-17(14-19(21)26)23(31)28-29-24(34)27-22(30)16-7-9-20(18(25)13-16)33-12-11-15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3,(H,28,31)(H2,27,29,30,34)