S-[(2S,3S)-2-(phenylmethoxymethyl)oxan-3-yl] N-octadecylcarbamothioate

Systemtic Name: S-[(2S,3S)-2-(phenylmethoxymethyl)oxan-3-yl] N-octadecylcarbamothioate Openeye Name: S-[(2S,3S)-2-(benzyloxymethyl)tetrahydropyran-3-yl] N-octadecylcarbamothioate CAS Name: N-octadecylcarbamothioic acid S-[[(2S,3S)-2-(phenylmethoxymethyl)-3-oxanyl]] ester IUPAC Name: S-[(2S,3S)-2-(phenylmethoxymethyl)oxan-3-yl] N-octadecylcarbamothioate Traditional Name: N-stearylthiocarbamic acid S-[(2S,3S)-2-(benzoxymethyl)tetrahydropyran-3-yl] ester Formula: C32H55NO3S MolecularWeight: 533.849

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)SC1CCCOC1COCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)S[C@H]1CCCO[C@H]1COCC2=CC=CC=C2

InChI

InChI=1S/C32H55NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-33-32(34)37-31-24-21-26-36-30(31)28-35-27-29-22-18-17-19-23-29/h17-19,22-23,30-31H,2-16,20-21,24-28H2,1H3,(H,33,34)/t30-,31-/m0/s1