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

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide Formula: C18H18F4N4S MolecularWeight: 398.420933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F4N4S/c1-12-2-4-14(10-15(12)19)24-17(27)26-8-6-25(7-9-26)16-5-3-13(11-23-16)18(20,21)22/h2-5,10-11H,6-9H2,1H3,(H,24,27)