N-butyl-4-(4-ethanoyl-2-fluoranyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: N-butyl-4-(4-ethanoyl-2-fluoranyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetyl-2-fluoro-phenyl)-N-butyl-piperazine-1-carbothioamide CAS Name: 4-(4-acetyl-2-fluorophenyl)-N-butyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetyl-2-fluorophenyl)-N-butylpiperazine-1-carbothioamide Traditional Name: 4-(4-acetyl-2-fluoro-phenyl)-N-butyl-piperazine-1-carbothioamide Formula: C17H24FN3OS MolecularWeight: 337.455363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)C)F

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)C)F

InChI

InChI=1S/C17H24FN3OS/c1-3-4-7-19-17(23)21-10-8-20(9-11-21)16-6-5-14(13(2)22)12-15(16)18/h5-6,12H,3-4,7-11H2,1-2H3,(H,19,23)