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

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[[3-(propanoylamino)phenyl]carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[[3-(propanoylamino)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[[3-(propanoylamino)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(3-propionamidophenyl)thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5S/c1-3-14(21)18-12-5-4-6-13(11-12)19-17(26)20-15(22)7-8-16(23)25-10-9-24-2/h4-6,11H,3,7-10H2,1-2H3,(H,18,21)(H2,19,20,22,26)