N-(4-methylpyridin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-methylpyridin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-(4-methyl-2-pyridyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-methylpyridin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-(4-methyl-2-pyridyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C18H19F3N4S MolecularWeight: 380.43047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=CC(=NC=C1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H19F3N4S/c1-13-5-6-22-16(11-13)23-17(26)25-9-7-24(8-10-25)15-4-2-3-14(12-15)18(19,20)21/h2-6,11-12H,7-10H2,1H3,(H,22,23,26)