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

Systemtic Name: N-(4-ethylphenyl)-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Openeye Name: N-(4-ethylphenyl)-1-[3-(m-tolylsulfanyl)pyrazin-2-yl]piperidine-3-carboxamide CAS Name: N-(4-ethylphenyl)-1-[3-[(3-methylphenyl)thio]-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-(4-ethylphenyl)-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Traditional Name: N-(4-ethylphenyl)-1-[3-(m-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=CC(=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4OS/c1-3-19-9-11-21(12-10-19)28-24(30)20-7-5-15-29(17-20)23-25(27-14-13-26-23)31-22-8-4-6-18(2)16-22/h4,6,8-14,16,20H,3,5,7,15,17H2,1-2H3,(H,28,30)