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

Systemtic Name: N-[(4-fluorophenyl)methyl]-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-1-[3-(p-tolylsulfanyl)pyrazin-2-yl]piperidine-3-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-1-[3-[(4-methylphenyl)thio]-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Traditional Name: N-(4-fluorobenzyl)-1-[3-(p-tolylthio)pyrazin-2-yl]nipecotamide Formula: C24H25FN4OS MolecularWeight: 436.544903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25FN4OS/c1-17-4-10-21(11-5-17)31-24-22(26-12-13-27-24)29-14-2-3-19(16-29)23(30)28-15-18-6-8-20(25)9-7-18/h4-13,19H,2-3,14-16H2,1H3,(H,28,30)