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

Systemtic Name: 2-methoxyethyl 4-[[4-methyl-3-(propanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[4-methyl-3-(propanoylamino)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[4-methyl-3-(propanoylamino)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(4-methyl-3-propionamido-phenyl)thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5S/c1-4-15(22)20-14-11-13(6-5-12(14)2)19-18(27)21-16(23)7-8-17(24)26-10-9-25-3/h5-6,11H,4,7-10H2,1-3H3,(H,20,22)(H2,19,21,23,27)