1-(3,4-dihydro-2H-thiochromen-6-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one

Systemtic Name: 1-(3,4-dihydro-2H-thiochromen-6-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one Openeye Name: 3-(1-benzyl-4-piperidyl)-1-thiochroman-6-yl-propan-1-one CAS Name: 1-(3,4-dihydro-2H-1-benzothiopyran-6-yl)-3-[1-(phenylmethyl)-4-piperidinyl]-1-propanone IUPAC Name: 3-(1-benzylpiperidin-4-yl)-1-(3,4-dihydro-2H-thiochromen-6-yl)propan-1-one Traditional Name: 3-(1-benzyl-4-piperidyl)-1-thiochroman-6-yl-propan-1-one Formula: C24H29NOS MolecularWeight: 379.55816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4)SC1

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4)SC1

InChI

InChI=1S/C24H29NOS/c26-23(21-9-11-24-22(17-21)7-4-16-27-24)10-8-19-12-14-25(15-13-19)18-20-5-2-1-3-6-20/h1-3,5-6,9,11,17,19H,4,7-8,10,12-16,18H2