[1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidin-3-yl]-piperidin-1-yl-methanone

Systemtic Name: [1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidin-3-yl]-piperidin-1-yl-methanone Openeye Name: 1-piperidyl-[1-[3-(p-tolylsulfanyl)pyrazin-2-yl]-3-piperidyl]methanone CAS Name: [1-[3-[(4-methylphenyl)thio]-2-pyrazinyl]-3-piperidinyl]-(1-piperidinyl)methanone IUPAC Name: [1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidin-3-yl]-piperidin-1-ylmethanone Traditional Name: piperidino-[1-[3-(p-tolylthio)pyrazin-2-yl]-3-piperidyl]methanone Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=CN=C2N3CCCC(C3)C(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=CN=C2N3CCCC(C3)C(=O)N4CCCCC4

InChI

InChI=1S/C22H28N4OS/c1-17-7-9-19(10-8-17)28-21-20(23-11-12-24-21)26-15-5-6-18(16-26)22(27)25-13-3-2-4-14-25/h7-12,18H,2-6,13-16H2,1H3