3-oxidanylidene-N-[4-(trifluoromethyloxy)phenyl]piperazine-1-carbothioamide

Systemtic Name: 3-oxidanylidene-N-[4-(trifluoromethyloxy)phenyl]piperazine-1-carbothioamide Openeye Name: 3-oxo-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide CAS Name: 3-oxo-N-[4-(trifluoromethoxy)phenyl]-1-piperazinecarbothioamide IUPAC Name: 3-oxo-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide Traditional Name: 3-keto-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide Formula: C12H12F3N3O2S MolecularWeight: 319.30279

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=S)NC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

C1CN(CC(=O)N1)C(=S)NC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C12H12F3N3O2S/c13-12(14,15)20-9-3-1-8(2-4-9)17-11(21)18-6-5-16-10(19)7-18/h1-4H,5-7H2,(H,16,19)(H,17,21)