N-(4-propan-2-ylphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide

Systemtic Name: N-(4-propan-2-ylphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide Openeye Name: N-(4-isopropylphenyl)-4-[3-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide CAS Name: N-(4-propan-2-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-propan-2-ylphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide Traditional Name: N-p-cumenyl-4-[3-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide Formula: C20H23F3N4S MolecularWeight: 408.48363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=C(C=CC=N3)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=C(C=CC=N3)C(F)(F)F

InChI

InChI=1S/C20H23F3N4S/c1-14(2)15-5-7-16(8-6-15)25-19(28)27-12-10-26(11-13-27)18-17(20(21,22)23)4-3-9-24-18/h3-9,14H,10-13H2,1-2H3,(H,25,28)