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

Systemtic Name: 3-oxidanylidene-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: 3-oxo-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: 3-oxo-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 3-oxo-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: 3-keto-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C12H12F3N3OS MolecularWeight: 303.30339

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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