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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=CN=C2N3CCCC(C3)C(=O)NCCCOC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=CN=C2N3CCCC(C3)C(=O)NCCCOC

InChI

InChI=1S/C21H28N4O2S/c1-16-6-8-18(9-7-16)28-21-19(22-11-12-24-21)25-13-3-5-17(15-25)20(26)23-10-4-14-27-2/h6-9,11-12,17H,3-5,10,13-15H2,1-2H3,(H,23,26)