N-(3-methylsulfanylphenyl)-1-[[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]methyl]piperidin-4-amine

Systemtic Name: N-(3-methylsulfanylphenyl)-1-[[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]methyl]piperidin-4-amine Openeye Name: N-(3-methylsulfanylphenyl)-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridyl]methyl]piperidin-4-amine CAS Name: N-[3-(methylthio)phenyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]-4-piperidinamine IUPAC Name: N-(3-methylsulfanylphenyl)-1-[[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]methyl]piperidin-4-amine Traditional Name: [3-(methylthio)phenyl]-[1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridyl]methyl]-4-piperidyl]amine Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC=CC(=C2)CN3CCC(CC3)NC4=CC(=CC=C4)SC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC=CC(=C2)CN3CCC(CC3)NC4=CC(=CC=C4)SC

InChI

InChI=1S/C27H33N3O3S/c1-31-25-15-20(16-26(32-2)27(25)33-3)24-14-19(8-11-28-24)18-30-12-9-21(10-13-30)29-22-6-5-7-23(17-22)34-4/h5-8,11,14-17,21,29H,9-10,12-13,18H2,1-4H3