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

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(4-ethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(4-ethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-ethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(4-ethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-p-phenetyl-piperazine-1-carbothioamide Formula: C19H20ClF3N4OS MolecularWeight: 444.90151

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C19H20ClF3N4OS/c1-2-28-15-5-3-14(4-6-15)25-18(29)27-9-7-26(8-10-27)17-16(20)11-13(12-24-17)19(21,22)23/h3-6,11-12H,2,7-10H2,1H3,(H,25,29)