2-iodanyl-N-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 2-iodanyl-N-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 2-iodo-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 2-iodo-N-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-iodo-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 2-iodo-N-[[(3,4,5-trimethoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C18H18IN3O5S MolecularWeight: 515.32209

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2I

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2I

InChI

InChI=1S/C18H18IN3O5S/c1-25-13-8-10(9-14(26-2)15(13)27-3)16(23)21-22-18(28)20-17(24)11-6-4-5-7-12(11)19/h4-9H,1-3H3,(H,21,23)(H2,20,22,24,28)