3-methyl-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 3-methyl-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: 3-methyl-4-(p-tolyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: 3-methyl-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 3-methyl-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: 3-methyl-4-(p-tolyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C20H22F3N3S MolecularWeight: 393.46899

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C)C(=S)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C)C(=S)NC3=CC=CC(=C3)C(F)(F)F

InChI

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