4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbothioamide

Systemtic Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbothioamide Openeye Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazine-1-carbothioamide CAS Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[[(2R)-2-oxolanyl]methyl]-1-piperazinecarbothioamide IUPAC Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbothioamide Traditional Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazine-1-carbothioamide Formula: C17H21F3N4O3S MolecularWeight: 418.43385

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H](OC1)CNC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H21F3N4O3S/c18-17(19,20)12-3-4-14(15(10-12)24(25)26)22-5-7-23(8-6-22)16(28)21-11-13-2-1-9-27-13/h3-4,10,13H,1-2,5-9,11H2,(H,21,28)/t13-/m1/s1