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

Systemtic Name: N-[(3-chlorophenyl)methyl]-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-1-[3-(p-tolylsulfanyl)pyrazin-2-yl]piperidine-3-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-1-[3-[(4-methylphenyl)thio]-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Traditional Name: N-(3-chlorobenzyl)-1-[3-(p-tolylthio)pyrazin-2-yl]nipecotamide Formula: C24H25ClN4OS MolecularWeight: 452.9995

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN4OS/c1-17-7-9-21(10-8-17)31-24-22(26-11-12-27-24)29-13-3-5-19(16-29)23(30)28-15-18-4-2-6-20(25)14-18/h2,4,6-12,14,19H,3,5,13,15-16H2,1H3,(H,28,30)