methyl 3-[[(2-iodanylphenyl)carbonylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[(2-iodanylphenyl)carbonylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[(2-iodobenzoyl)amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[[(2-iodophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(2-iodobenzoyl)amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[(2-iodobenzoyl)amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C17H14IN3O4S MolecularWeight: 483.28023

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2I

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2I

InChI

InChI=1S/C17H14IN3O4S/c1-25-16(24)11-6-4-5-10(9-11)14(22)19-17(26)21-20-15(23)12-7-2-3-8-13(12)18/h2-9H,1H3,(H,20,23)(H2,19,21,22,26)