N-methyl-4-[4-(trifluoromethyloxy)phenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-methyl-4-[4-(trifluoromethyloxy)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonyl-piperazine-1-carbothioamide CAS Name: N-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonyl-piperazine-1-carbothioamide Formula: C13H16F3N3O3S2 MolecularWeight: 383.40965

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C13H16F3N3O3S2/c1-17-12(23)18-6-8-19(9-7-18)24(20,21)11-4-2-10(3-5-11)22-13(14,15)16/h2-5H,6-9H2,1H3,(H,17,23)