N-(3-methylsulfanylpropyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-methylsulfanylpropyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-methylsulfanylpropyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide CAS Name: N-[3-(methylthio)propyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-methylsulfanylpropyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-[3-(methylthio)propyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide Formula: C16H22F3N3O2S3 MolecularWeight: 441.55499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22F3N3O2S3/c1-26-11-3-6-20-15(25)21-7-9-22(10-8-21)27(23,24)14-5-2-4-13(12-14)16(17,18)19/h2,4-5,12H,3,6-11H2,1H3,(H,20,25)