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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2=NC=CN=C2N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)SC2=NC=CN=C2N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)OC

InChI

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