N-(2,3-dimethylphenyl)-4-(4-ethanoyl-2-fluoranyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2,3-dimethylphenyl)-4-(4-ethanoyl-2-fluoranyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetyl-2-fluoro-phenyl)-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetyl-2-fluorophenyl)-N-(2,3-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetyl-2-fluorophenyl)-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetyl-2-fluoro-phenyl)-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide Formula: C21H24FN3OS MolecularWeight: 385.498163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F)C

InChI

InChI=1S/C21H24FN3OS/c1-14-5-4-6-19(15(14)2)23-21(27)25-11-9-24(10-12-25)20-8-7-17(16(3)26)13-18(20)22/h4-8,13H,9-12H2,1-3H3,(H,23,27)