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

Systemtic Name: methyl 4-[[(2-iodanylphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[(2-iodobenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(2-iodophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[(2-iodobenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(2-iodobenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C13H14IN3O4S MolecularWeight: 435.23743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14IN3O4S/c1-21-11(19)7-6-10(18)15-13(22)17-16-12(20)8-4-2-3-5-9(8)14/h2-5H,6-7H2,1H3,(H,16,20)(H2,15,17,18,22)