methyl 4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(4-morpholinosulfonylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(4-morpholinosulfonylphenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C16H21N3O6S2 MolecularWeight: 415.48444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C16H21N3O6S2/c1-24-15(21)7-6-14(20)18-16(26)17-12-2-4-13(5-3-12)27(22,23)19-8-10-25-11-9-19/h2-5H,6-11H2,1H3,(H2,17,18,20,26)