(3R,5S)-N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-3,5-dimethyl-piperidine-1-carbothioamide

Systemtic Name: (3R,5S)-N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-3,5-dimethyl-piperidine-1-carbothioamide Openeye Name: (3R,5S)-N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-3,5-dimethyl-piperidine-1-carbothioamide CAS Name: (3R,5S)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3,5-dimethyl-1-piperidinecarbothioamide IUPAC Name: (3R,5S)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3,5-dimethylpiperidine-1-carbothioamide Traditional Name: (3R,5S)-N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-3,5-dimethyl-piperidine-1-carbothioamide Formula: C19H31N3O2S2 MolecularWeight: 397.59834

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N2CC(CC(C2)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N2C[C@@H](C[C@@H](C2)C)C

InChI

InChI=1S/C19H31N3O2S2/c1-6-22(7-2)26(23,24)17-9-8-16(5)18(11-17)20-19(25)21-12-14(3)10-15(4)13-21/h8-9,11,14-15H,6-7,10,12-13H2,1-5H3,(H,20,25)/t14-,15+