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

Systemtic Name: methyl 4-[(2-morpholin-4-ylcarbonylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[2-(morpholine-4-carbonyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[2-(morpholine-4-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[2-(morpholine-4-carbonyl)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5S/c1-24-15(22)7-6-14(21)19-17(26)18-13-5-3-2-4-12(13)16(23)20-8-10-25-11-9-20/h2-5H,6-11H2,1H3,(H2,18,19,21,26)