S-[2-[2-cyclohexylethyl(2-pyridin-4-ylethylcarbamoyl)amino]ethyl] ethanethioate

Systemtic Name: S-[2-[2-cyclohexylethyl(2-pyridin-4-ylethylcarbamoyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[2-cyclohexylethyl-[2-(4-pyridyl)ethylcarbamoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[oxo-(2-pyridin-4-ylethylamino)methyl]amino]ethyl] ester IUPAC Name: S-[2-[2-cyclohexylethyl(2-pyridin-4-ylethylcarbamoyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[2-(4-pyridyl)ethylcarbamoyl]amino]ethyl] ester Formula: C20H31N3O2S MolecularWeight: 377.54404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCCC2=CC=NC=C2

Isomeric SMILES

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCCC2=CC=NC=C2

InChI

InChI=1S/C20H31N3O2S/c1-17(24)26-16-15-23(14-10-18-5-3-2-4-6-18)20(25)22-13-9-19-7-11-21-12-8-19/h7-8,11-12,18H,2-6,9-10,13-16H2,1H3,(H,22,25)