propyl 4-oxidanylidene-4-[[3-(propanoylamino)phenyl]carbamothioylamino]butanoate

Systemtic Name: propyl 4-oxidanylidene-4-[[3-(propanoylamino)phenyl]carbamothioylamino]butanoate Openeye Name: propyl 4-oxo-4-[[3-(propanoylamino)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]amino]butanoic acid propyl ester IUPAC Name: propyl 4-oxo-4-[[3-(propanoylamino)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(3-propionamidophenyl)thiocarbamoylamino]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)NC1=CC=CC(=C1)NC(=O)CC

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)CC

InChI

InChI=1S/C17H23N3O4S/c1-3-10-24-16(23)9-8-15(22)20-17(25)19-13-7-5-6-12(11-13)18-14(21)4-2/h5-7,11H,3-4,8-10H2,1-2H3,(H,18,21)(H2,19,20,22,25)