S-[2-[2-cyclooctylethyl(pyridin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate

Systemtic Name: S-[2-[2-cyclooctylethyl(pyridin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[2-cyclooctylethyl(4-pyridylmethylcarbamoyl)amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-cyclooctylethyl-[oxo-(pyridin-4-ylmethylamino)methyl]amino]ethyl] ester IUPAC Name: S-[2-[2-cyclooctylethyl(pyridin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-cyclooctylethyl(4-pyridylmethylcarbamoyl)amino]ethyl] ester Formula: C21H33N3O2S MolecularWeight: 391.57062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1CCCCCCC1)C(=O)NCC2=CC=NC=C2

Isomeric SMILES

CC(=O)SCCN(CCC1CCCCCCC1)C(=O)NCC2=CC=NC=C2

InChI

InChI=1S/C21H33N3O2S/c1-18(25)27-16-15-24(14-11-19-7-5-3-2-4-6-8-19)21(26)23-17-20-9-12-22-13-10-20/h9-10,12-13,19H,2-8,11,14-17H2,1H3,(H,23,26)