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

Systemtic Name: S-(2-piperidin-1-ylethyl) 3-butylbenzenecarbothioate Openeye Name: S-[2-(1-piperidyl)ethyl] 3-butylbenzenecarbothioate CAS Name: 3-butylbenzenecarbothioic acid S-[2-(1-piperidinyl)ethyl] ester IUPAC Name: S-(2-piperidin-1-ylethyl) 3-butylbenzenecarbothioate Traditional Name: 3-butylthiobenzoic acid S-(2-piperidinoethyl) ester Formula: C18H27NOS MolecularWeight: 305.47808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1)C(=O)SCCN2CCCCC2

Isomeric SMILES

CCCCC1=CC=CC(=C1)C(=O)SCCN2CCCCC2

InChI

InChI=1S/C18H27NOS/c1-2-3-8-16-9-7-10-17(15-16)18(20)21-14-13-19-11-5-4-6-12-19/h7,9-10,15H,2-6,8,11-14H2,1H3