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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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