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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=C(C=C4)C

InChI

InChI=1S/C25H28N4OS/c1-3-19-8-10-21(11-9-19)28-24(30)20-5-4-16-29(17-20)23-25(27-15-14-26-23)31-22-12-6-18(2)7-13-22/h6-15,20H,3-5,16-17H2,1-2H3,(H,28,30)