4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propan-2-yl-piperazine-1-carbothioamide

Systemtic Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propan-2-yl-piperazine-1-carbothioamide Openeye Name: N-isopropyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propan-2-yl-1-piperazinecarbothioamide IUPAC Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-propan-2-ylpiperazine-1-carbothioamide Traditional Name: N-isopropyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C15H19F3N4O2S MolecularWeight: 376.39717

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=S)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H19F3N4O2S/c1-10(2)19-14(25)21-7-5-20(6-8-21)12-4-3-11(15(16,17)18)9-13(12)22(23)24/h3-4,9-10H,5-8H2,1-2H3,(H,19,25)