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

Systemtic Name: ethyl 4-[(3-iodanylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(3-iodobenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-iodobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-iodobenzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H15IN2O3S MolecularWeight: 454.28207

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15IN2O3S/c1-2-23-16(22)11-6-8-14(9-7-11)19-17(24)20-15(21)12-4-3-5-13(18)10-12/h3-10H,2H2,1H3,(H2,19,20,21,24)