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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2=NC=CN=C2N3CCC(CC3)C(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)SC2=NC=CN=C2N3CCC(CC3)C(=O)N4CCCCC4

InChI

InChI=1S/C22H28N4OS/c1-17-6-5-7-19(16-17)28-21-20(23-10-11-24-21)25-14-8-18(9-15-25)22(27)26-12-3-2-4-13-26/h5-7,10-11,16,18H,2-4,8-9,12-15H2,1H3