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

Systemtic Name: methyl 4-[(3-iodanylphenyl)methylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(3-iodophenyl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[(3-iodophenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-iodophenyl)methylcarbamothioylamino]benzoate Traditional Name: 4-[(3-iodobenzyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C16H15IN2O2S MolecularWeight: 426.27197

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC(=CC=C2)I

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC(=CC=C2)I

InChI

InChI=1S/C16H15IN2O2S/c1-21-15(20)12-5-7-14(8-6-12)19-16(22)18-10-11-3-2-4-13(17)9-11/h2-9H,10H2,1H3,(H2,18,19,22)