(3S,5S)-3,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carbothioamide

Systemtic Name: (3S,5S)-3,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carbothioamide Openeye Name: (3S,5S)-3,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carbothioamide CAS Name: (3S,5S)-3,5-dimethyl-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-piperidinecarbothioamide IUPAC Name: (3S,5S)-3,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carbothioamide Traditional Name: (3S,5S)-3,5-dimethyl-N-(4-pyrrolidinosulfonylphenyl)piperidine-1-carbothioamide Formula: C18H27N3O2S2 MolecularWeight: 381.55588

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C18H27N3O2S2/c1-14-11-15(2)13-20(12-14)18(24)19-16-5-7-17(8-6-16)25(22,23)21-9-3-4-10-21/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,19,24)/t14-,15-/m0/s1