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

Systemtic Name: N-(4-methylphenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide Openeye Name: N-(p-tolyl)-4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide CAS Name: N-(4-methylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-methylphenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbothioamide Traditional Name: N-(p-tolyl)-4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide Formula: C18H19F3N4S MolecularWeight: 380.43047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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