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

Systemtic Name: N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[[(3-iodo-4-methoxy-benzoyl)amino]carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[[(3-iodo-4-methoxy-benzoyl)amino]thiocarbamoyl]-3-phenethyloxy-benzamide Formula: C24H22IN3O4S MolecularWeight: 575.41865

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22IN3O4S/c1-31-21-11-10-18(15-20(21)25)23(30)27-28-24(33)26-22(29)17-8-5-9-19(14-17)32-13-12-16-6-3-2-4-7-16/h2-11,14-15H,12-13H2,1H3,(H,27,30)(H2,26,28,29,33)