4-(3-oxidanylidenepiperazin-1-yl)-2-(trifluoromethyl)benzenecarbothioamide

Systemtic Name: 4-(3-oxidanylidenepiperazin-1-yl)-2-(trifluoromethyl)benzenecarbothioamide Openeye Name: 4-(3-oxopiperazin-1-yl)-2-(trifluoromethyl)benzenecarbothioamide CAS Name: 4-(3-oxo-1-piperazinyl)-2-(trifluoromethyl)benzenecarbothioamide IUPAC Name: 4-(3-oxopiperazin-1-yl)-2-(trifluoromethyl)benzenecarbothioamide Traditional Name: 4-(3-ketopiperazino)-2-(trifluoromethyl)thiobenzamide Formula: C12H12F3N3OS MolecularWeight: 303.30339

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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