S-[2-[2-cyclohexylethyl(5-pyridin-4-ylpentylcarbamoyl)amino]ethyl] ethanethioate

Systemtic Name: S-[2-[2-cyclohexylethyl(5-pyridin-4-ylpentylcarbamoyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[2-cyclohexylethyl-[5-(4-pyridyl)pentylcarbamoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[oxo-(5-pyridin-4-ylpentylamino)methyl]amino]ethyl] ester IUPAC Name: S-[2-[2-cyclohexylethyl(5-pyridin-4-ylpentylcarbamoyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[5-(4-pyridyl)pentylcarbamoyl]amino]ethyl] ester Formula: C23H37N3O2S MolecularWeight: 419.62378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCCCCCC2=CC=NC=C2

Isomeric SMILES

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCCCCCC2=CC=NC=C2

InChI

InChI=1S/C23H37N3O2S/c1-20(27)29-19-18-26(17-13-21-8-4-2-5-9-21)23(28)25-14-7-3-6-10-22-11-15-24-16-12-22/h11-12,15-16,21H,2-10,13-14,17-19H2,1H3,(H,25,28)