4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)methyl]-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(2,5-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-4-fluoro-benzyl)-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide Formula: C20H23ClFN3S MolecularWeight: 391.933123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)CC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)CC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H23ClFN3S/c1-14-3-4-15(2)19(11-14)23-20(26)25-9-7-24(8-10-25)13-16-5-6-18(22)17(21)12-16/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)