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

Systemtic Name: (3S,5S)-3,5-dimethyl-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-1-carbothioamide Openeye Name: (3S,5S)-3,5-dimethyl-N-(4-morpholinosulfonylphenyl)piperidine-1-carbothioamide CAS Name: (3S,5S)-3,5-dimethyl-N-[4-(4-morpholinylsulfonyl)phenyl]-1-piperidinecarbothioamide IUPAC Name: (3S,5S)-3,5-dimethyl-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-1-carbothioamide Traditional Name: (3S,5S)-3,5-dimethyl-N-(4-morpholinosulfonylphenyl)piperidine-1-carbothioamide Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C18H27N3O3S2/c1-14-11-15(2)13-20(12-14)18(25)19-16-3-5-17(6-4-16)26(22,23)21-7-9-24-10-8-21/h3-6,14-15H,7-13H2,1-2H3,(H,19,25)/t14-,15-/m0/s1