N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-[(4-fluorophenyl)methyl]-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(4-fluorobenzyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C16H18FN5S MolecularWeight: 331.411023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C16H18FN5S/c17-14-4-2-13(3-5-14)12-20-16(23)22-10-8-21(9-11-22)15-18-6-1-7-19-15/h1-7H,8-12H2,(H,20,23)