N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]-2-(methylthio)nicotinamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=C(N=CC=C2)SC)N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)C2=C(N=CC=C2)SC)N3CCCCC3

InChI

InChI=1S/C21H27N3O2S/c1-26-17-10-8-16(9-11-17)19(24-13-4-3-5-14-24)15-23-20(25)18-7-6-12-22-21(18)27-2/h6-12,19H,3-5,13-15H2,1-2H3,(H,23,25)