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

Systemtic Name: N-(2,4-dimethylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-(2,4-dimethylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-(2,4-dimethylphenyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-(2,4-dimethylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C20H22F3N3S MolecularWeight: 393.46899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22F3N3S/c1-14-6-7-18(15(2)12-14)24-19(27)26-10-8-25(9-11-26)17-5-3-4-16(13-17)20(21,22)23/h3-7,12-13H,8-11H2,1-2H3,(H,24,27)