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

Systemtic Name: propyl 4-[[2-methyl-3-(propanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[2-methyl-3-(propanoylamino)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[2-methyl-3-(propanoylamino)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(2-methyl-3-propionamido-phenyl)thiocarbamoylamino]butyric acid propyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1C)NC(=O)CC

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1C)NC(=O)CC

InChI

InChI=1S/C18H25N3O4S/c1-4-11-25-17(24)10-9-16(23)21-18(26)20-14-8-6-7-13(12(14)3)19-15(22)5-2/h6-8H,4-5,9-11H2,1-3H3,(H,19,22)(H2,20,21,23,26)