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

Systemtic Name: N-[(4-methylphenyl)methyl]-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Openeye Name: N-(p-tolylmethyl)-1-[3-(p-tolylsulfanyl)pyrazin-2-yl]piperidine-3-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-1-[3-[(4-methylphenyl)thio]-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Traditional Name: N-(4-methylbenzyl)-1-[3-(p-tolylthio)pyrazin-2-yl]nipecotamide Formula: C25H28N4OS MolecularWeight: 432.58102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=C(C=C4)C

InChI

InChI=1S/C25H28N4OS/c1-18-5-9-20(10-6-18)16-28-24(30)21-4-3-15-29(17-21)23-25(27-14-13-26-23)31-22-11-7-19(2)8-12-22/h5-14,21H,3-4,15-17H2,1-2H3,(H,28,30)