4-(4-ethanoyl-2-fluoranyl-phenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(4-ethanoyl-2-fluoranyl-phenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(4-acetyl-2-fluoro-phenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(4-acetyl-2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetyl-2-fluorophenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(4-acetyl-2-fluoro-phenyl)-N-(4-fluorobenzyl)piperazine-1-carbothioamide Formula: C20H21F2N3OS MolecularWeight: 389.462046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F)F

InChI

InChI=1S/C20H21F2N3OS/c1-14(26)16-4-7-19(18(22)12-16)24-8-10-25(11-9-24)20(27)23-13-15-2-5-17(21)6-3-15/h2-7,12H,8-11,13H2,1H3,(H,23,27)