methyl 4-oxidanylidene-4-[(3-phenylpropanoylamino)carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[(3-phenylpropanoylamino)carbamothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[(3-phenylpropanoylamino)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[(3-phenylpropanoylamino)carbamothioylamino]butanoate Traditional Name: 4-[(hydrocinnamoylamino)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NNC(=O)CCC1=CC=CC=C1

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NNC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C15H19N3O4S/c1-22-14(21)10-9-12(19)16-15(23)18-17-13(20)8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,17,20)(H2,16,18,19,23)