N-[(2-ethoxyphenyl)methyl]-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Openeye Name: N-[(2-ethoxyphenyl)methyl]-1-[3-(p-tolylsulfanyl)pyrazin-2-yl]piperidine-3-carboxamide CAS Name: N-[(2-ethoxyphenyl)methyl]-1-[3-[(4-methylphenyl)thio]-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-[(2-ethoxyphenyl)methyl]-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Traditional Name: N-(2-ethoxybenzyl)-1-[3-(p-tolylthio)pyrazin-2-yl]nipecotamide Formula: C26H30N4O2S MolecularWeight: 462.607

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=C(C=C4)C

InChI

InChI=1S/C26H30N4O2S/c1-3-32-23-9-5-4-7-20(23)17-29-25(31)21-8-6-16-30(18-21)24-26(28-15-14-27-24)33-22-12-10-19(2)11-13-22/h4-5,7,9-15,21H,3,6,8,16-18H2,1-2H3,(H,29,31)