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

Systemtic Name: ethyl 4-[(2-chloranyl-5-iodanyl-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(2-chloro-5-iodo-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(2-chloro-5-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-chloro-5-iodobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-chloro-5-iodo-benzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H14ClIN2O3S MolecularWeight: 488.72713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClIN2O3S/c1-2-24-16(23)10-3-6-12(7-4-10)20-17(25)21-15(22)13-9-11(19)5-8-14(13)18/h3-9H,2H2,1H3,(H2,20,21,22,25)