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

Systemtic Name: 4-(2,3-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(2,3-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(2,3-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(2,3-dimethylphenyl)-N-[2-(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)N2CCN(CC2)C(=S)NC3=CC=CC=C3C(F)(F)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=CC=CC=C3C(F)(F)F)C

InChI

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