N-[3,5-bis(fluoranyl)phenyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-[3,5-bis(fluoranyl)phenyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(3,5-difluorophenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(3,5-difluorophenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(3,5-difluorophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(3,5-difluorophenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C15H15F2N5S MolecularWeight: 335.374906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC(=CC(=C3)F)F

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC(=CC(=C3)F)F

InChI

InChI=1S/C15H15F2N5S/c16-11-8-12(17)10-13(9-11)20-15(23)22-6-4-21(5-7-22)14-18-2-1-3-19-14/h1-3,8-10H,4-7H2,(H,20,23)