ethyl 4-oxidanylidene-4-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: ethyl 4-oxo-4-[[4-(tetrahydrofuran-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-(2-oxolanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(tetrahydrofurfurylsulfamoyl)phenyl]thiocarbamoylamino]butyric acid ethyl ester Formula: C18H25N3O6S2 MolecularWeight: 443.5376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NCC2CCCO2

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NCC2CCCO2

InChI

InChI=1S/C18H25N3O6S2/c1-2-26-17(23)10-9-16(22)21-18(28)20-13-5-7-15(8-6-13)29(24,25)19-12-14-4-3-11-27-14/h5-8,14,19H,2-4,9-12H2,1H3,(H2,20,21,22,28)