N-(4-tert-butylphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide

Systemtic Name: N-(4-tert-butylphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide Openeye Name: N-(4-tert-butylphenyl)-4-[3-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide CAS Name: N-(4-tert-butylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-tert-butylphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide Traditional Name: N-(4-tert-butylphenyl)-4-[3-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide Formula: C21H25F3N4S MolecularWeight: 422.51021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25F3N4S/c1-20(2,3)15-6-8-16(9-7-15)26-19(29)28-13-11-27(12-14-28)18-17(21(22,23)24)5-4-10-25-18/h4-10H,11-14H2,1-3H3,(H,26,29)