dimethyl 5-[(3-iodanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(3-iodanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(3-iodo-4-methoxy-benzoyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[(3-iodo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3-iodo-4-methoxybenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-iodo-4-methoxy-benzoyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H17IN2O6S MolecularWeight: 528.31755

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)I

InChI

InChI=1S/C19H17IN2O6S/c1-26-15-5-4-10(9-14(15)20)16(23)22-19(29)21-13-7-11(17(24)27-2)6-12(8-13)18(25)28-3/h4-9H,1-3H3,(H2,21,22,23,29)