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

Systemtic Name: S-[2-[2-pyridin-4-ylethyl(3-pyridin-4-ylpropylcarbamoyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[2-(4-pyridyl)ethyl-[3-(4-pyridyl)propylcarbamoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[oxo-(3-pyridin-4-ylpropylamino)methyl]-(2-pyridin-4-ylethyl)amino]ethyl] ester IUPAC Name: S-[2-[2-pyridin-4-ylethyl(3-pyridin-4-ylpropylcarbamoyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-(4-pyridyl)ethyl-[3-(4-pyridyl)propylcarbamoyl]amino]ethyl] ester Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2S/c1-17(25)27-16-15-24(14-8-19-6-12-22-13-7-19)20(26)23-9-2-3-18-4-10-21-11-5-18/h4-7,10-13H,2-3,8-9,14-16H2,1H3,(H,23,26)