N-(3-chloranyl-4-fluoranyl-phenyl)-4-ethanoyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-ethanoyl-piperazine-1-carbothioamide Openeye Name: 4-acetyl-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carbothioamide CAS Name: 4-acetyl-N-(3-chloro-4-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-acetyl-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-acetyl-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carbothioamide Formula: C13H15ClFN3OS MolecularWeight: 315.794103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C13H15ClFN3OS/c1-9(19)17-4-6-18(7-5-17)13(20)16-10-2-3-12(15)11(14)8-10/h2-3,8H,4-7H2,1H3,(H,16,20)