4-(2,5-dimethylphenyl)-N-[3-(trifluoromethyloxy)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(2,5-dimethylphenyl)-N-[3-(trifluoromethyloxy)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethylphenyl)-N-[3-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethylphenyl)-N-[3-(trifluoromethoxy)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethylphenyl)-N-[3-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethylphenyl)-N-[3-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide Formula: C20H22F3N3OS MolecularWeight: 409.46839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)OC(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)OC(F)(F)F

InChI

InChI=1S/C20H22F3N3OS/c1-14-6-7-15(2)18(12-14)25-8-10-26(11-9-25)19(28)24-16-4-3-5-17(13-16)27-20(21,22)23/h3-7,12-13H,8-11H2,1-2H3,(H,24,28)