ethyl 4-[[(2-iodanylphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[(2-iodanylphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[(2-iodobenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(2-iodophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[(2-iodobenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(2-iodobenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C14H16IN3O4S MolecularWeight: 449.26401

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=CC=C1I

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=CC=C1I

InChI

InChI=1S/C14H16IN3O4S/c1-2-22-12(20)8-7-11(19)16-14(23)18-17-13(21)9-5-3-4-6-10(9)15/h3-6H,2,7-8H2,1H3,(H,17,21)(H2,16,18,19,23)