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

Systemtic Name: propyl 4-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 4-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(3-iodo-4-methoxy-benzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C16H20IN3O5S MolecularWeight: 493.31657

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20IN3O5S/c1-3-8-25-14(22)7-6-13(21)18-16(26)20-19-15(23)10-4-5-12(24-2)11(17)9-10/h4-5,9H,3,6-8H2,1-2H3,(H,19,23)(H2,18,20,21,26)