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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=CC=C4

InChI

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