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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1C(=O)SCCN2CCCCC2

Isomeric SMILES

CCCCC1=CC=CC=C1C(=O)SCCN2CCCCC2

InChI

InChI=1S/C18H27NOS/c1-2-3-9-16-10-5-6-11-17(16)18(20)21-15-14-19-12-7-4-8-13-19/h5-6,10-11H,2-4,7-9,12-15H2,1H3