ethyl 4-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[(3-iodo-4-methoxy-benzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(3-iodo-4-methoxy-benzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C15H18IN3O5S MolecularWeight: 479.28999

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC(=C(C=C1)OC)I

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC(=C(C=C1)OC)I

InChI

InChI=1S/C15H18IN3O5S/c1-3-24-13(21)7-6-12(20)17-15(25)19-18-14(22)9-4-5-11(23-2)10(16)8-9/h4-5,8H,3,6-7H2,1-2H3,(H,18,22)(H2,17,19,20,25)