2-methoxyethyl 4-[(2-morpholin-4-ylcarbonylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[(2-morpholin-4-ylcarbonylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[2-(morpholine-4-carbonyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[2-(morpholine-4-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[2-(morpholine-4-carbonyl)phenyl]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCOCC2

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCOCC2

InChI

InChI=1S/C19H25N3O6S/c1-26-12-13-28-17(24)7-6-16(23)21-19(29)20-15-5-3-2-4-14(15)18(25)22-8-10-27-11-9-22/h2-5H,6-13H2,1H3,(H2,20,21,23,29)