methyl 4-[[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]carbamothioylamino]butanoate CAS Name: 4-[[[2-(dimethylamino)-5-(dimethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C16H26N4O4S2 MolecularWeight: 402.53204

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NCCCC(=O)OC

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C16H26N4O4S2/c1-19(2)14-9-8-12(26(22,23)20(3)4)11-13(14)18-16(25)17-10-6-7-15(21)24-5/h8-9,11H,6-7,10H2,1-5H3,(H2,17,18,25)