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

Systemtic Name: N-[(4-fluorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-1-[3-(phenylthio)-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Traditional Name: N-(4-fluorobenzyl)-1-[3-(phenylthio)pyrazin-2-yl]nipecotamide Formula: C23H23FN4OS MolecularWeight: 422.518323

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CN=C2SC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1CC(CN(C1)C2=NC=CN=C2SC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C23H23FN4OS/c24-19-10-8-17(9-11-19)15-27-22(29)18-5-4-14-28(16-18)21-23(26-13-12-25-21)30-20-6-2-1-3-7-20/h1-3,6-13,18H,4-5,14-16H2,(H,27,29)