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

Systemtic Name: 4-(2,5-dimethylphenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethylphenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethylphenyl)-N-[4-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethylphenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethylphenyl)-N-[4-(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)C)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

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

InChI

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