ethyl 1-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[5-(dimethylsulfamoyl)-2-methylanilino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]thiocarbamoyl]isonipecotic acid ethyl ester Formula: C18H27N3O4S2 MolecularWeight: 413.55468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C18H27N3O4S2/c1-5-25-17(22)14-8-10-21(11-9-14)18(26)19-16-12-15(7-6-13(16)2)27(23,24)20(3)4/h6-7,12,14H,5,8-11H2,1-4H3,(H,19,26)