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

Systemtic Name: N-(3-ethoxypropyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-ethoxypropyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3-ethoxypropyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-ethoxypropyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-ethoxypropyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide Formula: C17H24F3N3O3S2 MolecularWeight: 439.51597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24F3N3O3S2/c1-2-26-12-4-7-21-16(27)22-8-10-23(11-9-22)28(24,25)15-6-3-5-14(13-15)17(18,19)20/h3,5-6,13H,2,4,7-12H2,1H3,(H,21,27)