methyl 4-[(3-iodanylphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(3-iodanylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(3-iodobenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-iodobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-iodobenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C16H13IN2O3S MolecularWeight: 440.25549

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)I

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)I

InChI

InChI=1S/C16H13IN2O3S/c1-22-15(21)10-5-7-13(8-6-10)18-16(23)19-14(20)11-3-2-4-12(17)9-11/h2-9H,1H3,(H2,18,19,20,23)