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

Systemtic Name: N-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-(2-pyridyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-(2-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-(2-pyridyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C17H17F3N4S MolecularWeight: 366.40389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=S)NC3=CC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=S)NC3=CC=CC=N3

InChI

InChI=1S/C17H17F3N4S/c18-17(19,20)13-4-3-5-14(12-13)23-8-10-24(11-9-23)16(25)22-15-6-1-2-7-21-15/h1-7,12H,8-11H2,(H,21,22,25)