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

Systemtic Name: N-(3-methylbutyl)-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide Openeye Name: N-isopentyl-1-[3-(m-tolylsulfanyl)pyrazin-2-yl]piperidine-4-carboxamide CAS Name: N-(3-methylbutyl)-1-[3-[(3-methylphenyl)thio]-2-pyrazinyl]-4-piperidinecarboxamide IUPAC Name: N-(3-methylbutyl)-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide Traditional Name: N-isoamyl-1-[3-(m-tolylthio)pyrazin-2-yl]isonipecotamide Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2=NC=CN=C2N3CCC(CC3)C(=O)NCCC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)SC2=NC=CN=C2N3CCC(CC3)C(=O)NCCC(C)C

InChI

InChI=1S/C22H30N4OS/c1-16(2)7-10-24-21(27)18-8-13-26(14-9-18)20-22(25-12-11-23-20)28-19-6-4-5-17(3)15-19/h4-6,11-12,15-16,18H,7-10,13-14H2,1-3H3,(H,24,27)