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

Systemtic Name: methyl 4-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-oxo-4-[[4-(sec-butylsulfamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[4-(butan-2-ylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-(sec-butylsulfamoyl)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C16H23N3O5S2 MolecularWeight: 401.50092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O5S2/c1-4-11(2)19-26(22,23)13-7-5-12(6-8-13)17-16(25)18-14(20)9-10-15(21)24-3/h5-8,11,19H,4,9-10H2,1-3H3,(H2,17,18,20,25)