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

Systemtic Name: N-(4-methylsulfanylphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]methyl]piperidin-4-amine Openeye Name: N-(4-methylsulfanylphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)-4-pyridyl]methyl]piperidin-4-amine CAS Name: N-[4-(methylthio)phenyl]-N-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]-4-piperidinamine IUPAC Name: N-(4-methylsulfanylphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]methyl]piperidin-4-amine Traditional Name: [4-(methylthio)phenyl]-(4-piperidyl)-[[2-(3,4,5-trimethoxyphenyl)-4-pyridyl]methyl]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)CN(C3CCNCC3)C4=CC=C(C=C4)SC

Isomeric SMILES

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

InChI

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