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

Systemtic Name: N-(2-methoxyethyl)-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-methoxyethyl)-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2-methoxyethyl)-4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxyethyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-methoxyethyl)-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide Formula: C15H20F3N3O3S2 MolecularWeight: 411.46281

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

COCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C15H20F3N3O3S2/c1-24-11-6-19-14(25)20-7-9-21(10-8-20)26(22,23)13-4-2-12(3-5-13)15(16,17)18/h2-5H,6-11H2,1H3,(H,19,25)