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

Systemtic Name: 1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide Openeye Name: 1-[3-(p-tolylsulfanyl)pyrazin-2-yl]-N-(3-pyridylmethyl)piperidine-3-carboxamide CAS Name: 1-[3-[(4-methylphenyl)thio]-2-pyrazinyl]-N-(3-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: 1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide Traditional Name: 1-[3-(p-tolylthio)pyrazin-2-yl]-N-(3-pyridylmethyl)nipecotamide Formula: C23H25N5OS MolecularWeight: 419.5425

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=CN=C2N3CCCC(C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=CN=C2N3CCCC(C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C23H25N5OS/c1-17-6-8-20(9-7-17)30-23-21(25-11-12-26-23)28-13-3-5-19(16-28)22(29)27-15-18-4-2-10-24-14-18/h2,4,6-12,14,19H,3,5,13,15-16H2,1H3,(H,27,29)