2-[1,6-bis(bromanyl)naphthalen-2-yl]oxy-N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-[1,6-bis(bromanyl)naphthalen-2-yl]oxy-N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-[(1,6-dibromo-2-naphthyl)oxy]-N-[[(3-iodo-4-methoxy-benzoyl)amino]carbamothioyl]acetamide CAS Name: 2-[(1,6-dibromo-2-naphthalenyl)oxy]-N-[[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1,6-dibromonaphthalen-2-yl)oxy-N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]acetamide Traditional Name: 2-(1,6-dibromo-2-naphthoxy)-N-[[(3-iodo-4-methoxy-benzoyl)amino]thiocarbamoyl]acetamide Formula: C21H16Br2IN3O4S MolecularWeight: 693.14691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=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/C21H16Br2IN3O4S/c1-30-16-6-3-12(9-15(16)24)20(29)26-27-21(32)25-18(28)10-31-17-7-2-11-8-13(22)4-5-14(11)19(17)23/h2-9H,10H2,1H3,(H,26,29)(H2,25,27,28,32)