4-[(4-ethanoylpiperazin-1-yl)methyl]-3-fluoranyl-benzenecarbothioamide

Systemtic Name: 4-[(4-ethanoylpiperazin-1-yl)methyl]-3-fluoranyl-benzenecarbothioamide Openeye Name: 4-[(4-acetylpiperazin-1-yl)methyl]-3-fluoro-benzenecarbothioamide CAS Name: 4-[(4-acetyl-1-piperazinyl)methyl]-3-fluorobenzenecarbothioamide IUPAC Name: 4-[(4-acetylpiperazin-1-yl)methyl]-3-fluorobenzenecarbothioamide Traditional Name: 4-[(4-acetylpiperazino)methyl]-3-fluoro-thiobenzamide Formula: C14H18FN3OS MolecularWeight: 295.375623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=C(C=C(C=C2)C(=S)N)F

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=C(C=C(C=C2)C(=S)N)F

InChI

InChI=1S/C14H18FN3OS/c1-10(19)18-6-4-17(5-7-18)9-12-3-2-11(14(16)20)8-13(12)15/h2-3,8H,4-7,9H2,1H3,(H2,16,20)