3-[4-(phenylmethyl)piperidin-1-yl]carbonylisothiochromen-1-one

Systemtic Name: 3-[4-(phenylmethyl)piperidin-1-yl]carbonylisothiochromen-1-one Openeye Name: 3-(4-benzylpiperidine-1-carbonyl)isothiochromen-1-one CAS Name: 3-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-2-benzothiopyran-1-one IUPAC Name: 3-(4-benzylpiperidine-1-carbonyl)isothiochromen-1-one Traditional Name: 3-(4-benzylpiperidine-1-carbonyl)isothiochromen-1-one Formula: C22H21NO2S MolecularWeight: 363.47264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4C(=O)S3

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4C(=O)S3

InChI

InChI=1S/C22H21NO2S/c24-21(20-15-18-8-4-5-9-19(18)22(25)26-20)23-12-10-17(11-13-23)14-16-6-2-1-3-7-16/h1-9,15,17H,10-14H2