4-[bis(4-fluorophenyl)methyl]-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[bis(4-fluorophenyl)methyl]-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-[bis(4-fluorophenyl)methyl]-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-[bis(4-fluorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[bis(4-fluorophenyl)methyl]-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-[bis(4-fluorophenyl)methyl]-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Formula: C26H27F2N3O2S MolecularWeight: 483.573286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C26H27F2N3O2S/c1-32-23-15-22(16-24(17-23)33-2)29-26(34)31-13-11-30(12-14-31)25(18-3-7-20(27)8-4-18)19-5-9-21(28)10-6-19/h3-10,15-17,25H,11-14H2,1-2H3,(H,29,34)