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

Systemtic Name: 1-(3,5-dimethyl-1-benzothiophen-2-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one Openeye Name: 3-(1-benzyl-4-piperidyl)-1-(3,5-dimethylbenzothiophen-2-yl)propan-1-one CAS Name: 1-(3,5-dimethyl-1-benzothiophen-2-yl)-3-[1-(phenylmethyl)-4-piperidinyl]-1-propanone IUPAC Name: 3-(1-benzylpiperidin-4-yl)-1-(3,5-dimethyl-1-benzothiophen-2-yl)propan-1-one Traditional Name: 3-(1-benzyl-4-piperidyl)-1-(3,5-dimethylbenzothiophen-2-yl)propan-1-one Formula: C25H29NOS MolecularWeight: 391.56886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=C2C)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=C2C)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29NOS/c1-18-8-11-24-22(16-18)19(2)25(28-24)23(27)10-9-20-12-14-26(15-13-20)17-21-6-4-3-5-7-21/h3-8,11,16,20H,9-10,12-15,17H2,1-2H3