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

Systemtic Name: methyl 4-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(3-bromo-4-methoxy-benzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C14H16BrN3O5S MolecularWeight: 418.26294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)CCC(=O)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)CCC(=O)OC)Br

InChI

InChI=1S/C14H16BrN3O5S/c1-22-10-4-3-8(7-9(10)15)13(21)17-18-14(24)16-11(19)5-6-12(20)23-2/h3-4,7H,5-6H2,1-2H3,(H,17,21)(H2,16,18,19,24)