1-(2-benzothiophen-1-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methylsulfanyl]piperidine

Systemtic Name: 1-(2-benzothiophen-1-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methylsulfanyl]piperidine Openeye Name: 1-(2-benzothiophen-1-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methylsulfanyl]piperidine CAS Name: 1-(2-benzothiophen-1-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methylthio]piperidine IUPAC Name: 1-(2-benzothiophen-1-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methylsulfanyl]piperidine Traditional Name: 1-(isobenzothiophen-1-ylmethyl)-4-[(2,3,4-trimethoxybenzyl)thio]piperidine Formula: C24H29NO3S2 MolecularWeight: 443.62196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CSC2CCN(CC2)CC3=C4C=CC=CC4=CS3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CSC2CCN(CC2)CC3=C4C=CC=CC4=CS3)OC)OC

InChI

InChI=1S/C24H29NO3S2/c1-26-21-9-8-18(23(27-2)24(21)28-3)16-29-19-10-12-25(13-11-19)14-22-20-7-5-4-6-17(20)15-30-22/h4-9,15,19H,10-14,16H2,1-3H3