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

Systemtic Name: N-(3-methylsulfanylpropyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide Openeye Name: N-(3-methylsulfanylpropyl)-4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide CAS Name: N-[3-(methylthio)propyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-methylsulfanylpropyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide Traditional Name: N-[3-(methylthio)propyl]-4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide Formula: C15H21F3N4S2 MolecularWeight: 378.47925

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)N1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CSCCCNC(=S)N1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C15H21F3N4S2/c1-24-10-2-5-19-14(23)22-8-6-21(7-9-22)13-4-3-12(11-20-13)15(16,17)18/h3-4,11H,2,5-10H2,1H3,(H,19,23)