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

Systemtic Name: N-(4-acetamidophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Openeye Name: N-(4-acetamidophenyl)-1-[3-(p-tolylsulfanyl)pyrazin-2-yl]piperidine-3-carboxamide CAS Name: N-(4-acetamidophenyl)-1-[3-[(4-methylphenyl)thio]-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-(4-acetamidophenyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Traditional Name: N-(4-acetamidophenyl)-1-[3-(p-tolylthio)pyrazin-2-yl]nipecotamide Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=CN=C2N3CCCC(C3)C(=O)NC4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=CN=C2N3CCCC(C3)C(=O)NC4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C25H27N5O2S/c1-17-5-11-22(12-6-17)33-25-23(26-13-14-27-25)30-15-3-4-19(16-30)24(32)29-21-9-7-20(8-10-21)28-18(2)31/h5-14,19H,3-4,15-16H2,1-2H3,(H,28,31)(H,29,32)