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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[(3-iodo-4-methoxy-benzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[(3-iodo-4-methoxy-benzoyl)amino]thiocarbamoyl]benzamide Formula: C22H25BrIN3O4S MolecularWeight: 634.32507

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)I)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)I)Br

InChI

InChI=1S/C22H25BrIN3O4S/c1-3-4-5-6-11-31-18-9-7-14(12-16(18)23)20(28)25-22(32)27-26-21(29)15-8-10-19(30-2)17(24)13-15/h7-10,12-13H,3-6,11H2,1-2H3,(H,26,29)(H2,25,27,28,32)