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

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-[(2-chloro-4-fluoro-phenyl)methyl]-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-chloro-4-fluoro-benzyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Formula: C20H23ClFN3O2S MolecularWeight: 423.931923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl)OC

InChI

InChI=1S/C20H23ClFN3O2S/c1-26-17-10-16(11-18(12-17)27-2)23-20(28)25-7-5-24(6-8-25)13-14-3-4-15(22)9-19(14)21/h3-4,9-12H,5-8,13H2,1-2H3,(H,23,28)