S-[2-[phenethyl(3-pyridin-4-ylpropylcarbamoyl)amino]ethyl] ethanethioate

Systemtic Name: S-[2-[phenethyl(3-pyridin-4-ylpropylcarbamoyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[phenethyl-[3-(4-pyridyl)propylcarbamoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[oxo-(3-pyridin-4-ylpropylamino)methyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[phenethyl(3-pyridin-4-ylpropylcarbamoyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[phenethyl-[3-(4-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=CC=NC=C2

Isomeric SMILES

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

InChI

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