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

Systemtic Name: N-(4-methylsulfanylphenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperidin-4-amine Openeye Name: N-(4-methylsulfanylphenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperidin-4-amine CAS Name: N-[4-(methylthio)phenyl]-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-4-piperidinamine IUPAC Name: N-(4-methylsulfanylphenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperidin-4-amine Traditional Name: [4-(methylthio)phenyl]-(4-piperidyl)-[3-(3,4,5-trimethoxyphenyl)benzyl]amine Formula: C28H34N2O3S MolecularWeight: 478.64616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O3S/c1-31-26-17-22(18-27(32-2)28(26)33-3)21-7-5-6-20(16-21)19-30(24-12-14-29-15-13-24)23-8-10-25(34-4)11-9-23/h5-11,16-18,24,29H,12-15,19H2,1-4H3