2-(1-bromanylnaphthalen-2-yl)oxy-N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(1-bromanylnaphthalen-2-yl)oxy-N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-[(1-bromo-2-naphthyl)oxy]-N-[[(3-iodo-4-methoxy-benzoyl)amino]carbamothioyl]acetamide CAS Name: 2-[(1-bromo-2-naphthalenyl)oxy]-N-[[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-bromonaphthalen-2-yl)oxy-N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]acetamide Traditional Name: 2-(1-bromo-2-naphthoxy)-N-[[(3-iodo-4-methoxy-benzoyl)amino]thiocarbamoyl]acetamide Formula: C21H17BrIN3O4S MolecularWeight: 614.25085

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)COC2=C(C3=CC=CC=C3C=C2)Br)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)COC2=C(C3=CC=CC=C3C=C2)Br)I

InChI

InChI=1S/C21H17BrIN3O4S/c1-29-16-8-7-13(10-15(16)23)20(28)25-26-21(31)24-18(27)11-30-17-9-6-12-4-2-3-5-14(12)19(17)22/h2-10H,11H2,1H3,(H,25,28)(H2,24,26,27,31)