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

Systemtic Name: N-(2-methoxyethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-(2-methoxyethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-(2-methoxyethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxyethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-(2-methoxyethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C15H19F3N4O3S MolecularWeight: 392.39657

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19F3N4O3S/c1-25-9-4-19-14(26)21-7-5-20(6-8-21)12-3-2-11(15(16,17)18)10-13(12)22(23)24/h2-3,10H,4-9H2,1H3,(H,19,26)