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

Systemtic Name: 1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide Openeye Name: N-(3-phenylpropyl)-1-[3-(p-tolylsulfanyl)pyrazin-2-yl]piperidine-3-carboxamide CAS Name: 1-[3-[(4-methylphenyl)thio]-2-pyrazinyl]-N-(3-phenylpropyl)-3-piperidinecarboxamide IUPAC Name: 1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide Traditional Name: N-(3-phenylpropyl)-1-[3-(p-tolylthio)pyrazin-2-yl]nipecotamide Formula: C26H30N4OS MolecularWeight: 446.6076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=CN=C2N3CCCC(C3)C(=O)NCCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=CN=C2N3CCCC(C3)C(=O)NCCCC4=CC=CC=C4

InChI

InChI=1S/C26H30N4OS/c1-20-11-13-23(14-12-20)32-26-24(27-16-17-29-26)30-18-6-10-22(19-30)25(31)28-15-5-9-21-7-3-2-4-8-21/h2-4,7-8,11-14,16-17,22H,5-6,9-10,15,18-19H2,1H3,(H,28,31)