N-[5-chloranyl-2-(4-fluorophenyl)sulfanyl-phenyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanamide

Systemtic Name: N-[5-chloranyl-2-(4-fluorophenyl)sulfanyl-phenyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-[5-chloro-2-(4-fluorophenyl)sulfanyl-phenyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide CAS Name: N-[5-chloro-2-[(4-fluorophenyl)thio]phenyl]-2-[4-(2-pyrazinyl)-1-piperazinyl]acetamide IUPAC Name: N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-[5-chloro-2-[(4-fluorophenyl)thio]phenyl]-2-(4-pyrazin-2-ylpiperazino)acetamide Formula: C22H21ClFN5OS MolecularWeight: 457.951443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=C(C=CC(=C2)Cl)SC3=CC=C(C=C3)F)C4=NC=CN=C4

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=C(C=CC(=C2)Cl)SC3=CC=C(C=C3)F)C4=NC=CN=C4

InChI

InChI=1S/C22H21ClFN5OS/c23-16-1-6-20(31-18-4-2-17(24)3-5-18)19(13-16)27-22(30)15-28-9-11-29(12-10-28)21-14-25-7-8-26-21/h1-8,13-14H,9-12,15H2,(H,27,30)