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

Systemtic Name: 1-(1-benzofuran-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methylsulfanyl]piperidine Openeye Name: 1-(benzofuran-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methylsulfanyl]piperidine CAS Name: 1-(2-benzofuranylmethyl)-4-[(2,3,4-trimethoxyphenyl)methylthio]piperidine IUPAC Name: 1-(1-benzofuran-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methylsulfanyl]piperidine Traditional Name: 1-(benzofuran-2-ylmethyl)-4-[(2,3,4-trimethoxybenzyl)thio]piperidine Formula: C24H29NO4S MolecularWeight: 427.55636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CSC2CCN(CC2)CC3=CC4=CC=CC=C4O3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CSC2CCN(CC2)CC3=CC4=CC=CC=C4O3)OC)OC

InChI

InChI=1S/C24H29NO4S/c1-26-22-9-8-18(23(27-2)24(22)28-3)16-30-20-10-12-25(13-11-20)15-19-14-17-6-4-5-7-21(17)29-19/h4-9,14,20H,10-13,15-16H2,1-3H3