N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: N-[[(3-iodo-4-methoxy-benzoyl)amino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: N-[[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: N-[[(3-iodo-4-methoxy-benzoyl)amino]thiocarbamoyl]-2-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=C2OCCC3=CC=CC=C3)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2OCCC3=CC=CC=C3)I

InChI

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