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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Openeye Name: N-[(4-methoxyphenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide CAS Name: N-[(4-methoxyphenyl)methyl]-1-[3-(phenylthio)-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Traditional Name: N-p-anisyl-1-[3-(phenylthio)pyrazin-2-yl]nipecotamide Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O2S/c1-30-20-11-9-18(10-12-20)16-27-23(29)19-6-5-15-28(17-19)22-24(26-14-13-25-22)31-21-7-3-2-4-8-21/h2-4,7-14,19H,5-6,15-17H2,1H3,(H,27,29)