(3S)-1-[[5-(diethylsulfamoyl)-2-methyl-phenyl]carbamothioyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-[[5-(diethylsulfamoyl)-2-methyl-phenyl]carbamothioyl]piperidine-3-carboxamide Openeye Name: (3S)-1-[[5-(diethylsulfamoyl)-2-methyl-phenyl]carbamothioyl]piperidine-3-carboxamide CAS Name: (3S)-1-[[5-(diethylsulfamoyl)-2-methylanilino]-sulfanylidenemethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[[5-(diethylsulfamoyl)-2-methylphenyl]carbamothioyl]piperidine-3-carboxamide Traditional Name: (3S)-1-[[5-(diethylsulfamoyl)-2-methyl-phenyl]thiocarbamoyl]nipecotamide Formula: C18H28N4O3S2 MolecularWeight: 412.56992

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N2CCCC(C2)C(=O)N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N2CCC[C@@H](C2)C(=O)N

InChI

InChI=1S/C18H28N4O3S2/c1-4-22(5-2)27(24,25)15-9-8-13(3)16(11-15)20-18(26)21-10-6-7-14(12-21)17(19)23/h8-9,11,14H,4-7,10,12H2,1-3H3,(H2,19,23)(H,20,26)/t14-/m0/s1