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

Systemtic Name: 4-[bis(4-fluorophenyl)methyl]-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-[bis(4-fluorophenyl)methyl]-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-[bis(4-fluorophenyl)methyl]-N-(2,5-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[bis(4-fluorophenyl)methyl]-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-[bis(4-fluorophenyl)methyl]-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide Formula: C26H27F2N3S MolecularWeight: 451.574486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H27F2N3S/c1-18-3-4-19(2)24(17-18)29-26(32)31-15-13-30(14-16-31)25(20-5-9-22(27)10-6-20)21-7-11-23(28)12-8-21/h3-12,17,25H,13-16H2,1-2H3,(H,29,32)