ethyl (E)-4-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-[[4-(sec-butylsulfamoyl)phenyl]carbamothioylamino]but-2-enoate CAS Name: (E)-4-[[[4-(butan-2-ylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[[4-(sec-butylsulfamoyl)phenyl]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C17H23N3O5S2 MolecularWeight: 413.51162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC(=O)OCC

Isomeric SMILES

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C(=O)OCC

InChI

InChI=1S/C17H23N3O5S2/c1-4-12(3)20-27(23,24)14-8-6-13(7-9-14)18-17(26)19-15(21)10-11-16(22)25-5-2/h6-12,20H,4-5H2,1-3H3,(H2,18,19,21,26)/b11-10+