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

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(4-dimethylaminophenyl)piperazine-1-carbothioamide Openeye Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(4-dimethylaminophenyl)piperazine-1-carbothioamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-dimethylaminophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(4-dimethylaminophenyl)piperazine-1-carbothioamide Traditional Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(4-dimethylaminophenyl)piperazine-1-carbothioamide Formula: C19H21ClF3N5S MolecularWeight: 443.91675

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClF3N5S/c1-26(2)15-5-3-14(4-6-15)25-18(29)28-9-7-27(8-10-28)17-16(20)11-13(12-24-17)19(21,22)23/h3-6,11-12H,7-10H2,1-2H3,(H,25,29)