N-(oxolan-2-ylmethyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide

Systemtic Name: N-(oxolan-2-ylmethyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide Openeye Name: N-(tetrahydrofuran-2-ylmethyl)-4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide CAS Name: N-(2-oxolanylmethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarbothioamide IUPAC Name: N-(oxolan-2-ylmethyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide Traditional Name: N-(tetrahydrofurfuryl)-4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide Formula: C16H21F3N4OS MolecularWeight: 374.42435

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CC(OC1)CNC(=S)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C16H21F3N4OS/c17-16(18,19)12-3-4-14(20-10-12)22-5-7-23(8-6-22)15(25)21-11-13-2-1-9-24-13/h3-4,10,13H,1-2,5-9,11H2,(H,21,25)