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

Systemtic Name: N-[(3-methoxyphenyl)methyl]-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Openeye Name: N-[(3-methoxyphenyl)methyl]-1-[3-(p-tolylsulfanyl)pyrazin-2-yl]piperidine-3-carboxamide CAS Name: N-[(3-methoxyphenyl)methyl]-1-[3-[(4-methylphenyl)thio]-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Traditional Name: N-m-anisyl-1-[3-(p-tolylthio)pyrazin-2-yl]nipecotamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=CN=C2N3CCCC(C3)C(=O)NCC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=CN=C2N3CCCC(C3)C(=O)NCC4=CC(=CC=C4)OC

InChI

InChI=1S/C25H28N4O2S/c1-18-8-10-22(11-9-18)32-25-23(26-12-13-27-25)29-14-4-6-20(17-29)24(30)28-16-19-5-3-7-21(15-19)31-2/h3,5,7-13,15,20H,4,6,14,16-17H2,1-2H3,(H,28,30)