4-[bis(4-fluorophenyl)methyl]-N-(4-chloranyl-2,5-dimethoxy-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[bis(4-fluorophenyl)methyl]-N-(4-chloranyl-2,5-dimethoxy-phenyl)piperazine-1-carbothioamide Openeye Name: 4-[bis(4-fluorophenyl)methyl]-N-(4-chloro-2,5-dimethoxy-phenyl)piperazine-1-carbothioamide CAS Name: 4-[bis(4-fluorophenyl)methyl]-N-(4-chloro-2,5-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[bis(4-fluorophenyl)methyl]-N-(4-chloro-2,5-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-[bis(4-fluorophenyl)methyl]-N-(4-chloro-2,5-dimethoxy-phenyl)piperazine-1-carbothioamide Formula: C26H26ClF2N3O2S MolecularWeight: 518.018346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC)Cl

InChI

InChI=1S/C26H26ClF2N3O2S/c1-33-23-16-22(24(34-2)15-21(23)27)30-26(35)32-13-11-31(12-14-32)25(17-3-7-19(28)8-4-17)18-5-9-20(29)10-6-18/h3-10,15-16,25H,11-14H2,1-2H3,(H,30,35)