S-[2-[phenethyl(3-pyridin-3-ylpropylcarbamoyl)amino]ethyl] ethanethioate

Systemtic Name: S-[2-[phenethyl(3-pyridin-3-ylpropylcarbamoyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[phenethyl-[3-(3-pyridyl)propylcarbamoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[oxo-[3-(3-pyridinyl)propylamino]methyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[phenethyl(3-pyridin-3-ylpropylcarbamoyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[phenethyl-[3-(3-pyridyl)propylcarbamoyl]amino]ethyl] ester Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NCCCC2=CN=CC=C2

Isomeric SMILES

CC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NCCCC2=CN=CC=C2

InChI

InChI=1S/C21H27N3O2S/c1-18(25)27-16-15-24(14-11-19-7-3-2-4-8-19)21(26)23-13-6-10-20-9-5-12-22-17-20/h2-5,7-9,12,17H,6,10-11,13-16H2,1H3,(H,23,26)