methyl 4-[(2-chloranyl-5-iodanyl-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(2-chloranyl-5-iodanyl-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(2-chloro-5-iodo-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(2-chloro-5-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-chloro-5-iodobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-chloro-5-iodo-benzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C16H12ClIN2O3S MolecularWeight: 474.70055

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClIN2O3S/c1-23-15(22)9-2-5-11(6-3-9)19-16(24)20-14(21)12-8-10(18)4-7-13(12)17/h2-8H,1H3,(H2,19,20,21,24)