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

Systemtic Name: methyl 4-oxidanylidene-4-[[3-(propanoylamino)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[[3-(propanoylamino)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[[3-(propanoylamino)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(3-propionamidophenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O4S/c1-3-12(19)16-10-5-4-6-11(9-10)17-15(23)18-13(20)7-8-14(21)22-2/h4-6,9H,3,7-8H2,1-2H3,(H,16,19)(H2,17,18,20,23)