S-(2-piperidin-1-ylethyl) 3-ethylbenzenecarbothioate

Systemtic Name: S-(2-piperidin-1-ylethyl) 3-ethylbenzenecarbothioate Openeye Name: S-[2-(1-piperidyl)ethyl] 3-ethylbenzenecarbothioate CAS Name: 3-ethylbenzenecarbothioic acid S-[2-(1-piperidinyl)ethyl] ester IUPAC Name: S-(2-piperidin-1-ylethyl) 3-ethylbenzenecarbothioate Traditional Name: 3-ethylthiobenzoic acid S-(2-piperidinoethyl) ester Formula: C16H23NOS MolecularWeight: 277.42492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C(=O)SCCN2CCCCC2

Isomeric SMILES

CCC1=CC=CC(=C1)C(=O)SCCN2CCCCC2

InChI

InChI=1S/C16H23NOS/c1-2-14-7-6-8-15(13-14)16(18)19-12-11-17-9-4-3-5-10-17/h6-8,13H,2-5,9-12H2,1H3