O-[3-[(3R,4S)-1-hexyl-3,4-dimethyl-piperidin-4-yl]phenyl] N,N-diethylcarbamothioate

Systemtic Name: O-[3-[(3R,4S)-1-hexyl-3,4-dimethyl-piperidin-4-yl]phenyl] N,N-diethylcarbamothioate Openeye Name: O-[3-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidyl]phenyl] N,N-diethylcarbamothioate CAS Name: N,N-diethylcarbamothioic acid O-[3-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidinyl]phenyl] ester IUPAC Name: O-[3-[(3R,4S)-1-hexyl-3,4-dimethylpiperidin-4-yl]phenyl] N,N-diethylcarbamothioate Traditional Name: N,N-diethylthiocarbamic acid O-[3-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidyl]phenyl] ester Formula: C24H40N2OS MolecularWeight: 404.6522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(C(C1)C)(C)C2=CC(=CC=C2)OC(=S)N(CC)CC

Isomeric SMILES

CCCCCCN1CC[C@]([C@H](C1)C)(C)C2=CC(=CC=C2)OC(=S)N(CC)CC

InChI

InChI=1S/C24H40N2OS/c1-6-9-10-11-16-25-17-15-24(5,20(4)19-25)21-13-12-14-22(18-21)27-23(28)26(7-2)8-3/h12-14,18,20H,6-11,15-17,19H2,1-5H3/t20-,24-/m0/s1