S-(3-pyridin-3-ylpropyl) 1-(2-methylbutan-2-ylcarbamoyl)pyrrolidine-2-carbothioate

Systemtic Name: S-(3-pyridin-3-ylpropyl) 1-(2-methylbutan-2-ylcarbamoyl)pyrrolidine-2-carbothioate Openeye Name: S-[3-(3-pyridyl)propyl] 1-(1,1-dimethylpropylcarbamoyl)pyrrolidine-2-carbothioate CAS Name: 1-[(2-methylbutan-2-ylamino)-oxomethyl]-2-pyrrolidinecarbothioic acid S-[3-(3-pyridinyl)propyl] ester IUPAC Name: S-(3-pyridin-3-ylpropyl) 1-(2-methylbutan-2-ylcarbamoyl)pyrrolidine-2-carbothioate Traditional Name: 1-(tert-amylcarbamoyl)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)(C)NC(=O)N1CCCC1C(=O)SCCCC2=CN=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O2S/c1-4-19(2,3)21-18(24)22-12-6-10-16(22)17(23)25-13-7-9-15-8-5-11-20-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3,(H,21,24)