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

Systemtic Name: ethyl 4-oxidanylidene-4-[(3-phenylpropanoylamino)carbamothioylamino]butanoate Openeye Name: ethyl 4-oxo-4-[(3-phenylpropanoylamino)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[(3-phenylpropanoylamino)carbamothioylamino]butanoate Traditional Name: 4-[(hydrocinnamoylamino)thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S/c1-2-23-15(22)11-10-13(20)17-16(24)19-18-14(21)9-8-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,18,21)(H2,17,19,20,24)