4-(4-ethanoyl-2-fluoranyl-phenyl)-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide

Systemtic Name: 4-(4-ethanoyl-2-fluoranyl-phenyl)-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide Openeye Name: 4-(4-acetyl-2-fluoro-phenyl)-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide CAS Name: 4-(4-acetyl-2-fluorophenyl)-N-[(2S)-2-ethylhexyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetyl-2-fluorophenyl)-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide Traditional Name: 4-(4-acetyl-2-fluoro-phenyl)-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide Formula: C21H32FN3OS MolecularWeight: 393.561683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)C)F

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)C)F

InChI

InChI=1S/C21H32FN3OS/c1-4-6-7-17(5-2)15-23-21(27)25-12-10-24(11-13-25)20-9-8-18(16(3)26)14-19(20)22/h8-9,14,17H,4-7,10-13,15H2,1-3H3,(H,23,27)/t17-/m0/s1