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

Systemtic Name: 4-methanoyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-formyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-formyl-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-formyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-formyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C13H14F3N3OS MolecularWeight: 317.32997

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C(=S)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C=O)C(=S)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C13H14F3N3OS/c14-13(15,16)10-2-1-3-11(8-10)17-12(21)19-6-4-18(9-20)5-7-19/h1-3,8-9H,4-7H2,(H,17,21)