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

Systemtic Name: propyl 4-oxidanylidene-4-[(3-phenylpropanoylamino)carbamothioylamino]butanoate Openeye Name: propyl 4-oxo-4-[(3-phenylpropanoylamino)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid propyl ester IUPAC Name: propyl 4-oxo-4-[(3-phenylpropanoylamino)carbamothioylamino]butanoate Traditional Name: 4-[(hydrocinnamoylamino)thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4S/c1-2-12-24-16(23)11-10-14(21)18-17(25)20-19-15(22)9-8-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,19,22)(H2,18,20,21,25)