2-methoxyethyl 4-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[(3-bromo-4-methoxy-benzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(3-bromo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(3-bromo-4-methoxy-benzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C16H20BrN3O6S MolecularWeight: 462.3155

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC(=C(C=C1)OC)Br

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC(=C(C=C1)OC)Br

InChI

InChI=1S/C16H20BrN3O6S/c1-24-7-8-26-14(22)6-5-13(21)18-16(27)20-19-15(23)10-3-4-12(25-2)11(17)9-10/h3-4,9H,5-8H2,1-2H3,(H,19,23)(H2,18,20,21,27)