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

Systemtic Name: ethyl 4-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[[(3-bromo-4-methylbenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(3-bromo-4-methyl-benzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C15H18BrN3O4S MolecularWeight: 416.29012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrN3O4S/c1-3-23-13(21)7-6-12(20)17-15(24)19-18-14(22)10-5-4-9(2)11(16)8-10/h4-5,8H,3,6-7H2,1-2H3,(H,18,22)(H2,17,19,20,24)