methyl 3-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[(3-iodo-4-methoxy-benzoyl)amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[(3-iodo-4-methoxy-benzoyl)amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C18H16IN3O5S MolecularWeight: 513.30621

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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)C(=O)OC)I

Isomeric SMILES

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

InChI

InChI=1S/C18H16IN3O5S/c1-26-14-7-6-11(9-13(14)19)16(24)21-22-18(28)20-15(23)10-4-3-5-12(8-10)17(25)27-2/h3-9H,1-2H3,(H,21,24)(H2,20,22,23,28)