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

Systemtic Name: 2-methoxyethyl 4-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[(3-bromo-4-methyl-benzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[(3-bromo-4-methylbenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(3-bromo-4-methyl-benzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C16H20BrN3O5S MolecularWeight: 446.3161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)CCC(=O)OCCOC)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)CCC(=O)OCCOC)Br

InChI

InChI=1S/C16H20BrN3O5S/c1-10-3-4-11(9-12(10)17)15(23)19-20-16(26)18-13(21)5-6-14(22)25-8-7-24-2/h3-4,9H,5-8H2,1-2H3,(H,19,23)(H2,18,20,21,26)