S-[2-[phenethyl(2-pyridin-2-ylethylcarbamoyl)amino]ethyl] ethanethioate

Systemtic Name: S-[2-[phenethyl(2-pyridin-2-ylethylcarbamoyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[phenethyl-[2-(2-pyridyl)ethylcarbamoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[oxo-[2-(2-pyridinyl)ethylamino]methyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[phenethyl(2-pyridin-2-ylethylcarbamoyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[phenethyl-[2-(2-pyridyl)ethylcarbamoyl]amino]ethyl] ester Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NCCC2=CC=CC=N2

Isomeric SMILES

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NCCC2=CC=CC=N2

InChI

InChI=1S/C20H25N3O2S/c1-17(24)26-16-15-23(14-11-18-7-3-2-4-8-18)20(25)22-13-10-19-9-5-6-12-21-19/h2-9,12H,10-11,13-16H2,1H3,(H,22,25)