S-[2-[2-(cyclohexen-1-yl)ethyl-(pyridin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate

Systemtic Name: S-[2-[2-(cyclohexen-1-yl)ethyl-(pyridin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[2-(cyclohexen-1-yl)ethyl-(4-pyridylmethylcarbamoyl)amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-(1-cyclohexenyl)ethyl-[oxo-(pyridin-4-ylmethylamino)methyl]amino]ethyl] ester IUPAC Name: S-[2-[2-(cyclohexen-1-yl)ethyl-(pyridin-4-ylmethylcarbamoyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-(cyclohexen-1-yl)ethyl-(4-pyridylmethylcarbamoyl)amino]ethyl] ester Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1=CCCCC1)C(=O)NCC2=CC=NC=C2

Isomeric SMILES

CC(=O)SCCN(CCC1=CCCCC1)C(=O)NCC2=CC=NC=C2

InChI

InChI=1S/C19H27N3O2S/c1-16(23)25-14-13-22(12-9-17-5-3-2-4-6-17)19(24)21-15-18-7-10-20-11-8-18/h5,7-8,10-11H,2-4,6,9,12-15H2,1H3,(H,21,24)