propyl 4-[[4-(ethanoylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[4-(ethanoylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[4-(acetylsulfamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(acetylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[4-(acetylsulfamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-(acetylsulfamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C16H21N3O6S2 MolecularWeight: 415.48444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6S2/c1-3-10-25-15(22)9-8-14(21)18-16(26)17-12-4-6-13(7-5-12)27(23,24)19-11(2)20/h4-7H,3,8-10H2,1-2H3,(H,19,20)(H2,17,18,21,26)