methyl 6-[[3-(dimethylsulfamoyl)-4-methoxy-phenyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[3-(dimethylsulfamoyl)-4-methoxy-phenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[3-(dimethylsulfamoyl)-4-methoxy-phenyl]carbamothioylamino]hexanoate CAS Name: 6-[[[3-(dimethylsulfamoyl)-4-methoxyanilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[3-(dimethylsulfamoyl)-4-methoxyphenyl]carbamothioylamino]hexanoate Traditional Name: 6-[[3-(dimethylsulfamoyl)-4-methoxy-phenyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H27N3O5S2 MolecularWeight: 417.54338

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=S)NCCCCCC(=O)OC)OC

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=S)NCCCCCC(=O)OC)OC

InChI

InChI=1S/C17H27N3O5S2/c1-20(2)27(22,23)15-12-13(9-10-14(15)24-3)19-17(26)18-11-7-5-6-8-16(21)25-4/h9-10,12H,5-8,11H2,1-4H3,(H2,18,19,26)