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

Systemtic Name: methyl 4-[(3-iodanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(3-iodo-4-methoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-iodo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-iodo-4-methoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-iodo-4-methoxy-benzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C17H15IN2O4S MolecularWeight: 470.28147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15IN2O4S/c1-23-14-8-5-11(9-13(14)18)15(21)20-17(25)19-12-6-3-10(4-7-12)16(22)24-2/h3-9H,1-2H3,(H2,19,20,21,25)