4-[(2-methylphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-[(2-methylphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(o-tolylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-[(2-methylphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(2-methylphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(2-methylbenzyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C20H22F3N3S MolecularWeight: 393.46899

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3S/c1-15-5-2-3-6-16(15)14-25-9-11-26(12-10-25)19(27)24-18-8-4-7-17(13-18)20(21,22)23/h2-8,13H,9-12,14H2,1H3,(H,24,27)