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

Systemtic Name: methyl 6-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]hexanoate CAS Name: 6-[[[3-(dimethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]hexanoate Traditional Name: 6-[[3-(dimethylsulfamoyl)phenyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H25N3O4S2 MolecularWeight: 387.5174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O4S2/c1-19(2)25(21,22)14-9-7-8-13(12-14)18-16(24)17-11-6-4-5-10-15(20)23-3/h7-9,12H,4-6,10-11H2,1-3H3,(H2,17,18,24)