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

Systemtic Name: N-[(2-methylphenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide Openeye Name: N-(o-tolylmethyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide CAS Name: N-[(2-methylphenyl)methyl]-1-[3-(phenylthio)-2-pyrazinyl]-4-piperidinecarboxamide IUPAC Name: N-[(2-methylphenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide Traditional Name: N-(2-methylbenzyl)-1-[3-(phenylthio)pyrazin-2-yl]isonipecotamide Formula: C24H26N4OS MolecularWeight: 418.55444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C2CCN(CC2)C3=NC=CN=C3SC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C2CCN(CC2)C3=NC=CN=C3SC4=CC=CC=C4

InChI

InChI=1S/C24H26N4OS/c1-18-7-5-6-8-20(18)17-27-23(29)19-11-15-28(16-12-19)22-24(26-14-13-25-22)30-21-9-3-2-4-10-21/h2-10,13-14,19H,11-12,15-17H2,1H3,(H,27,29)