6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbothioamide

Systemtic Name: 6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbothioamide Openeye Name: 6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbothioamide CAS Name: 6-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-3-pyridinecarbothioamide IUPAC Name: 6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbothioamide Traditional Name: 6-[4-[3-(trifluoromethyl)phenyl]piperazino]thionicotinamide Formula: C17H17F3N4S MolecularWeight: 366.40389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C(=S)N)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C(=S)N)C3=CC=CC(=C3)C(F)(F)F

InChI

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