ethyl 4-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-oxo-4-[[4-(sec-butylsulfamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[4-(butan-2-ylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-(sec-butylsulfamoyl)phenyl]thiocarbamoylamino]butyric acid ethyl ester Formula: C17H25N3O5S2 MolecularWeight: 415.5275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O5S2/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/h6-9,12,20H,4-5,10-11H2,1-3H3,(H2,18,19,21,26)