ethyl 4-[[5-(diethylsulfamoyl)-2-methyl-phenyl]carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[5-(diethylsulfamoyl)-2-methyl-phenyl]carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[5-(diethylsulfamoyl)-2-methyl-phenyl]carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[5-(diethylsulfamoyl)-2-methylanilino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[[5-(diethylsulfamoyl)-2-methyl-phenyl]thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H30N4O4S2 MolecularWeight: 442.5959

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C19H30N4O4S2/c1-5-23(6-2)29(25,26)16-9-8-15(4)17(14-16)20-18(28)21-10-12-22(13-11-21)19(24)27-7-3/h8-9,14H,5-7,10-13H2,1-4H3,(H,20,28)