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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=CC(=CN=C2)CN(C3CCNCC3)C4=CC=C(C=C4)SC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=CC(=CN=C2)CN(C3CCNCC3)C4=CC=C(C=C4)SC

InChI

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