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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)I)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)I)Cl

InChI

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