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

Systemtic Name: 4-(4-ethanoyl-2-fluoranyl-phenyl)-N-[(1S,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide Openeye Name: 4-(4-acetyl-2-fluoro-phenyl)-N-[(1S,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide CAS Name: 4-(4-acetyl-2-fluorophenyl)-N-[(1S,2S)-2-methylcyclohexyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetyl-2-fluorophenyl)-N-[(1S,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide Traditional Name: 4-(4-acetyl-2-fluoro-phenyl)-N-[(1S,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide Formula: C20H28FN3OS MolecularWeight: 377.519223

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

InChI

InChI=1S/C20H28FN3OS/c1-14-5-3-4-6-18(14)22-20(26)24-11-9-23(10-12-24)19-8-7-16(15(2)25)13-17(19)21/h7-8,13-14,18H,3-6,9-12H2,1-2H3,(H,22,26)/t14-,18-/m0/s1