S-[1-(phenylmethyl)piperidin-4-yl] ethanethioate

Systemtic Name: S-[1-(phenylmethyl)piperidin-4-yl] ethanethioate Openeye Name: S-(1-benzyl-4-piperidyl) ethanethioate CAS Name: ethanethioic acid S-[1-(phenylmethyl)-4-piperidinyl] ester IUPAC Name: S-(1-benzylpiperidin-4-yl) ethanethioate Traditional Name: ethanethioic acid S-(1-benzyl-4-piperidyl) ester Formula: C14H19NOS MolecularWeight: 249.37176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCN(CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)SC1CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C14H19NOS/c1-12(16)17-14-7-9-15(10-8-14)11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3