4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(2-propan-2-ylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(2-propan-2-ylphenyl)piperazine-1-carbothioamide Openeye Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(2-isopropylphenyl)piperazine-1-carbothioamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-propan-2-ylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(2-propan-2-ylphenyl)piperazine-1-carbothioamide Traditional Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-o-cumenyl-piperazine-1-carbothioamide Formula: C20H22ClF3N4S MolecularWeight: 442.92869

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=S)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=S)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C20H22ClF3N4S/c1-13(2)15-5-3-4-6-17(15)26-19(29)28-9-7-27(8-10-28)18-16(21)11-14(12-25-18)20(22,23)24/h3-6,11-13H,7-10H2,1-2H3,(H,26,29)