1-(3,5-diethyl-1-benzothiophen-2-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one

Systemtic Name: 1-(3,5-diethyl-1-benzothiophen-2-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one Openeye Name: 3-(1-benzyl-4-piperidyl)-1-(3,5-diethylbenzothiophen-2-yl)propan-1-one CAS Name: 1-(3,5-diethyl-1-benzothiophen-2-yl)-3-[1-(phenylmethyl)-4-piperidinyl]-1-propanone IUPAC Name: 3-(1-benzylpiperidin-4-yl)-1-(3,5-diethyl-1-benzothiophen-2-yl)propan-1-one Traditional Name: 3-(1-benzyl-4-piperidyl)-1-(3,5-diethylbenzothiophen-2-yl)propan-1-one Formula: C27H33NOS MolecularWeight: 419.62202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)SC(=C2CC)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)SC(=C2CC)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H33NOS/c1-3-20-11-13-26-24(18-20)23(4-2)27(30-26)25(29)12-10-21-14-16-28(17-15-21)19-22-8-6-5-7-9-22/h5-9,11,13,18,21H,3-4,10,12,14-17,19H2,1-2H3