ethyl 3-[(3-iodanylphenyl)methylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[(3-iodanylphenyl)methylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[(3-iodophenyl)methylcarbamothioylamino]benzoate CAS Name: 3-[[[(3-iodophenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-iodophenyl)methylcarbamothioylamino]benzoate Traditional Name: 3-[(3-iodobenzyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H17IN2O2S MolecularWeight: 440.29855

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC(=CC=C2)I

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC(=CC=C2)I

InChI

InChI=1S/C17H17IN2O2S/c1-2-22-16(21)13-6-4-8-15(10-13)20-17(23)19-11-12-5-3-7-14(18)9-12/h3-10H,2,11H2,1H3,(H2,19,20,23)