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

Systemtic Name: 1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-pentyl-piperidine-3-carboxamide Openeye Name: N-pentyl-1-[3-(p-tolylsulfanyl)pyrazin-2-yl]piperidine-3-carboxamide CAS Name: 1-[3-[(4-methylphenyl)thio]-2-pyrazinyl]-N-pentyl-3-piperidinecarboxamide IUPAC Name: 1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-pentylpiperidine-3-carboxamide Traditional Name: N-amyl-1-[3-(p-tolylthio)pyrazin-2-yl]nipecotamide Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1CCCN(C1)C2=NC=CN=C2SC3=CC=C(C=C3)C

Isomeric SMILES

CCCCCNC(=O)C1CCCN(C1)C2=NC=CN=C2SC3=CC=C(C=C3)C

InChI

InChI=1S/C22H30N4OS/c1-3-4-5-12-24-21(27)18-7-6-15-26(16-18)20-22(25-14-13-23-20)28-19-10-8-17(2)9-11-19/h8-11,13-14,18H,3-7,12,15-16H2,1-2H3,(H,24,27)