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

Systemtic Name: N-cyclopropyl-4-(4-ethanoyl-2-fluoranyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetyl-2-fluoro-phenyl)-N-cyclopropyl-piperazine-1-carbothioamide CAS Name: 4-(4-acetyl-2-fluorophenyl)-N-cyclopropyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetyl-2-fluorophenyl)-N-cyclopropylpiperazine-1-carbothioamide Traditional Name: 4-(4-acetyl-2-fluoro-phenyl)-N-cyclopropyl-piperazine-1-carbothioamide Formula: C16H20FN3OS MolecularWeight: 321.412903

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC3CC3)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC3CC3)F

InChI

InChI=1S/C16H20FN3OS/c1-11(21)12-2-5-15(14(17)10-12)19-6-8-20(9-7-19)16(22)18-13-3-4-13/h2,5,10,13H,3-4,6-9H2,1H3,(H,18,22)