2-[1,6-bis(bromanyl)naphthalen-2-yl]oxy-N-[[(2-iodanylphenyl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-[1,6-bis(bromanyl)naphthalen-2-yl]oxy-N-[[(2-iodanylphenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-[(1,6-dibromo-2-naphthyl)oxy]-N-[[(2-iodobenzoyl)amino]carbamothioyl]acetamide CAS Name: 2-[(1,6-dibromo-2-naphthalenyl)oxy]-N-[[[(2-iodophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[[(2-iodobenzoyl)amino]carbamothioyl]acetamide Traditional Name: 2-(1,6-dibromo-2-naphthoxy)-N-[[(2-iodobenzoyl)amino]thiocarbamoyl]acetamide Formula: C20H14Br2IN3O3S MolecularWeight: 663.12093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14Br2IN3O3S/c21-12-6-7-13-11(9-12)5-8-16(18(13)22)29-10-17(27)24-20(30)26-25-19(28)14-3-1-2-4-15(14)23/h1-9H,10H2,(H,25,28)(H2,24,26,27,30)