methyl 6-[[2-(dimethylamino)-5-sulfamoyl-phenyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[2-(dimethylamino)-5-sulfamoyl-phenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[2-(dimethylamino)-5-sulfamoyl-phenyl]carbamothioylamino]hexanoate CAS Name: 6-[[[2-(dimethylamino)-5-sulfamoylanilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[2-(dimethylamino)-5-sulfamoylphenyl]carbamothioylamino]hexanoate Traditional Name: 6-[[2-(dimethylamino)-5-sulfamoyl-phenyl]thiocarbamoylamino]hexanoic 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)NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

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

InChI

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