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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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