S-(3-pyridin-3-ylpropyl) 1-(2-methylbutylcarbamoyl)pyrrolidine-2-carbothioate

Systemtic Name: S-(3-pyridin-3-ylpropyl) 1-(2-methylbutylcarbamoyl)pyrrolidine-2-carbothioate Openeye Name: S-[3-(3-pyridyl)propyl] 1-(2-methylbutylcarbamoyl)pyrrolidine-2-carbothioate CAS Name: 1-[(2-methylbutylamino)-oxomethyl]-2-pyrrolidinecarbothioic acid S-[3-(3-pyridinyl)propyl] ester IUPAC Name: S-(3-pyridin-3-ylpropyl) 1-(2-methylbutylcarbamoyl)pyrrolidine-2-carbothioate Traditional Name: 1-(2-methylbutylcarbamoyl)pyrrolidine-2-carbothioic acid S-[3-(3-pyridyl)propyl] ester Formula: C19H29N3O2S MolecularWeight: 363.51746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC(=O)N1CCCC1C(=O)SCCCC2=CN=CC=C2

Isomeric SMILES

CCC(C)CNC(=O)N1CCCC1C(=O)SCCCC2=CN=CC=C2

InChI

InChI=1S/C19H29N3O2S/c1-3-15(2)13-21-19(24)22-11-5-9-17(22)18(23)25-12-6-8-16-7-4-10-20-14-16/h4,7,10,14-15,17H,3,5-6,8-9,11-13H2,1-2H3,(H,21,24)