S-[5-[methyl(3-pyridin-4-ylpropyl)carbamoyl]pyrrolidin-3-yl] ethanethioate

Systemtic Name: S-[5-[methyl(3-pyridin-4-ylpropyl)carbamoyl]pyrrolidin-3-yl] ethanethioate Openeye Name: S-[5-[methyl-[3-(4-pyridyl)propyl]carbamoyl]pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[5-[[methyl(3-pyridin-4-ylpropyl)amino]-oxomethyl]-3-pyrrolidinyl] ester IUPAC Name: S-[5-[methyl(3-pyridin-4-ylpropyl)carbamoyl]pyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[5-[methyl-[3-(4-pyridyl)propyl]carbamoyl]pyrrolidin-3-yl] ester Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(NC1)C(=O)N(C)CCCC2=CC=NC=C2

Isomeric SMILES

CC(=O)SC1CC(NC1)C(=O)N(C)CCCC2=CC=NC=C2

InChI

InChI=1S/C16H23N3O2S/c1-12(20)22-14-10-15(18-11-14)16(21)19(2)9-3-4-13-5-7-17-8-6-13/h5-8,14-15,18H,3-4,9-11H2,1-2H3