S-[3-(3,4,5-trimethoxyphenyl)propyl] (2S)-1-(hexylcarbamoyl)pyrrolidine-2-carbothioate

Systemtic Name: S-[3-(3,4,5-trimethoxyphenyl)propyl] (2S)-1-(hexylcarbamoyl)pyrrolidine-2-carbothioate Openeye Name: S-[3-(3,4,5-trimethoxyphenyl)propyl] (2S)-1-(hexylcarbamoyl)pyrrolidine-2-carbothioate CAS Name: (2S)-1-[(hexylamino)-oxomethyl]-2-pyrrolidinecarbothioic acid S-[3-(3,4,5-trimethoxyphenyl)propyl] ester IUPAC Name: S-[3-(3,4,5-trimethoxyphenyl)propyl] (2S)-1-(hexylcarbamoyl)pyrrolidine-2-carbothioate Traditional Name: (2S)-1-(hexylcarbamoyl)pyrrolidine-2-carbothioic acid S-[3-(3,4,5-trimethoxyphenyl)propyl] ester Formula: C24H38N2O5S MolecularWeight: 466.63392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)N1CCCC1C(=O)SCCCC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCCCCCNC(=O)N1CCC[C@H]1C(=O)SCCCC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C24H38N2O5S/c1-5-6-7-8-13-25-24(28)26-14-9-12-19(26)23(27)32-15-10-11-18-16-20(29-2)22(31-4)21(17-18)30-3/h16-17,19H,5-15H2,1-4H3,(H,25,28)/t19-/m0/s1