2-(3-oxidanylidenepiperazin-1-yl)-5-(trifluoromethyl)benzenecarbothioamide

Systemtic Name: 2-(3-oxidanylidenepiperazin-1-yl)-5-(trifluoromethyl)benzenecarbothioamide Openeye Name: 2-(3-oxopiperazin-1-yl)-5-(trifluoromethyl)benzenecarbothioamide CAS Name: 2-(3-oxo-1-piperazinyl)-5-(trifluoromethyl)benzenecarbothioamide IUPAC Name: 2-(3-oxopiperazin-1-yl)-5-(trifluoromethyl)benzenecarbothioamide Traditional Name: 2-(3-ketopiperazino)-5-(trifluoromethyl)thiobenzamide Formula: C12H12F3N3OS MolecularWeight: 303.30339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=C(C=C(C=C2)C(F)(F)F)C(=S)N

Isomeric SMILES

C1CN(CC(=O)N1)C2=C(C=C(C=C2)C(F)(F)F)C(=S)N

InChI

InChI=1S/C12H12F3N3OS/c13-12(14,15)7-1-2-9(8(5-7)11(16)20)18-4-3-17-10(19)6-18/h1-2,5H,3-4,6H2,(H2,16,20)(H,17,19)