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

Systemtic Name: 4-[bis(4-fluorophenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-[bis(4-fluorophenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-[bis(4-fluorophenyl)methyl]-N-(3,4,5-trimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[bis(4-fluorophenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-[bis(4-fluorophenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Formula: C27H29F2N3O3S MolecularWeight: 513.599266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=S)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=S)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H29F2N3O3S/c1-33-23-16-22(17-24(34-2)26(23)35-3)30-27(36)32-14-12-31(13-15-32)25(18-4-8-20(28)9-5-18)19-6-10-21(29)11-7-19/h4-11,16-17,25H,12-15H2,1-3H3,(H,30,36)