N-[2,4-bis(fluoranyl)phenyl]-4-ethanoyl-piperazine-1-carbothioamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-4-ethanoyl-piperazine-1-carbothioamide Openeye Name: 4-acetyl-N-(2,4-difluorophenyl)piperazine-1-carbothioamide CAS Name: 4-acetyl-N-(2,4-difluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-acetyl-N-(2,4-difluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-acetyl-N-(2,4-difluorophenyl)piperazine-1-carbothioamide Formula: C13H15F2N3OS MolecularWeight: 299.339506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F2N3OS/c1-9(19)17-4-6-18(7-5-17)13(20)16-12-3-2-10(14)8-11(12)15/h2-3,8H,4-7H2,1H3,(H,16,20)