1-[(2-ethoxypyridin-3-yl)methyl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide

Systemtic Name: 1-[(2-ethoxypyridin-3-yl)methyl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide Openeye Name: 1-[(2-ethoxy-3-pyridyl)methyl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide CAS Name: 1-[(2-ethoxy-3-pyridinyl)methyl]-N-[3-(methylthio)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-[(2-ethoxypyridin-3-yl)methyl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide Traditional Name: 1-[(2-ethoxy-3-pyridyl)methyl]-N-[3-(methylthio)phenyl]nipecotamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)CN2CCCC(C2)C(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CCOC1=C(C=CC=N1)CN2CCCC(C2)C(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H27N3O2S/c1-3-26-21-17(7-5-11-22-21)15-24-12-6-8-16(14-24)20(25)23-18-9-4-10-19(13-18)27-2/h4-5,7,9-11,13,16H,3,6,8,12,14-15H2,1-2H3,(H,23,25)