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

Systemtic Name: N-[5-chloranyl-2-(4-fluorophenyl)sulfanyl-phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-[5-chloro-2-(4-fluorophenyl)sulfanyl-phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide CAS Name: N-[5-chloro-2-[(4-fluorophenyl)thio]phenyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-[5-chloro-2-[(4-fluorophenyl)thio]phenyl]-2-[4-(2-pyrimidyl)piperazino]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=CC=N4

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=C(C=CC(=C2)Cl)SC3=CC=C(C=C3)F)C4=NC=CC=N4

InChI

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