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

Systemtic Name: N-(3-methoxypropyl)-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide Openeye Name: N-(3-methoxypropyl)-1-[3-(m-tolylsulfanyl)pyrazin-2-yl]piperidine-4-carboxamide CAS Name: N-(3-methoxypropyl)-1-[3-[(3-methylphenyl)thio]-2-pyrazinyl]-4-piperidinecarboxamide IUPAC Name: N-(3-methoxypropyl)-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-4-carboxamide Traditional Name: N-(3-methoxypropyl)-1-[3-(m-tolylthio)pyrazin-2-yl]isonipecotamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2S/c1-16-5-3-6-18(15-16)28-21-19(22-10-11-24-21)25-12-7-17(8-13-25)20(26)23-9-4-14-27-2/h3,5-6,10-11,15,17H,4,7-9,12-14H2,1-2H3,(H,23,26)