N-(4-ethanoylphenyl)-4-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-ethanoylphenyl)-4-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-acetylphenyl)-4-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(4-acetylphenyl)-4-[(3-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-acetylphenyl)-4-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-acetylphenyl)-4-(3-fluorobenzyl)piperazine-1-carbothioamide Formula: C20H22FN3OS MolecularWeight: 371.471583

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H22FN3OS/c1-15(25)17-5-7-19(8-6-17)22-20(26)24-11-9-23(10-12-24)14-16-3-2-4-18(21)13-16/h2-8,13H,9-12,14H2,1H3,(H,22,26)