ethyl 4-oxidanylidene-4-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: ethyl 4-[[4-(allylsulfamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[4-(prop-2-enylsulfamoyl)anilino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[4-(allylsulfamoyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C16H21N3O5S2 MolecularWeight: 399.48504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5S2/c1-3-11-17-26(22,23)13-7-5-12(6-8-13)18-16(25)19-14(20)9-10-15(21)24-4-2/h3,5-8,17H,1,4,9-11H2,2H3,(H2,18,19,20,25)