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

Systemtic Name: propyl 4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(4-morpholinosulfonylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(4-morpholinosulfonylphenyl)thiocarbamoylamino]butyric acid propyl ester Formula: C18H25N3O6S2 MolecularWeight: 443.5376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O6S2/c1-2-11-27-17(23)8-7-16(22)20-18(28)19-14-3-5-15(6-4-14)29(24,25)21-9-12-26-13-10-21/h3-6H,2,7-13H2,1H3,(H2,19,20,22,28)