S-(piperidin-1-ylmethyl) benzenecarbothioate

Systemtic Name: S-(piperidin-1-ylmethyl) benzenecarbothioate Openeye Name: S-(1-piperidylmethyl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-(1-piperidinylmethyl) ester IUPAC Name: S-(piperidin-1-ylmethyl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(piperidinomethyl) ester Formula: C13H17NOS MolecularWeight: 235.34518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CSC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCN(CC1)CSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H17NOS/c15-13(12-7-3-1-4-8-12)16-11-14-9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-11H2