N-[(2-ethoxyphenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Openeye Name: N-[(2-ethoxyphenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide CAS Name: N-[(2-ethoxyphenyl)methyl]-1-[3-(phenylthio)-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-[(2-ethoxyphenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Traditional Name: N-(2-ethoxybenzyl)-1-[3-(phenylthio)pyrazin-2-yl]nipecotamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O2S/c1-2-31-22-13-7-6-9-19(22)17-28-24(30)20-10-8-16-29(18-20)23-25(27-15-14-26-23)32-21-11-4-3-5-12-21/h3-7,9,11-15,20H,2,8,10,16-18H2,1H3,(H,28,30)