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

Systemtic Name: N-(3-fluorophenyl)-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Openeye Name: N-(3-fluorophenyl)-1-[3-(m-tolylsulfanyl)pyrazin-2-yl]piperidine-3-carboxamide CAS Name: N-(3-fluorophenyl)-1-[3-[(3-methylphenyl)thio]-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-(3-fluorophenyl)-1-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Traditional Name: N-(3-fluorophenyl)-1-[3-(m-tolylthio)pyrazin-2-yl]nipecotamide Formula: C23H23FN4OS MolecularWeight: 422.518323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2=NC=CN=C2N3CCCC(C3)C(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

CC1=CC(=CC=C1)SC2=NC=CN=C2N3CCCC(C3)C(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C23H23FN4OS/c1-16-5-2-9-20(13-16)30-23-21(25-10-11-26-23)28-12-4-6-17(15-28)22(29)27-19-8-3-7-18(24)14-19/h2-3,5,7-11,13-14,17H,4,6,12,15H2,1H3,(H,27,29)