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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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