N-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbothioamide

Systemtic Name: N-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbothioamide Openeye Name: N-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbothioamide CAS Name: N-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbothioamide Traditional Name: N-butyl-4-[4-(trifluoromethyl)benzyl]piperazine-1-carbothioamide Formula: C17H24F3N3S MolecularWeight: 359.45277

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)CC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)CC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H24F3N3S/c1-2-3-8-21-16(24)23-11-9-22(10-12-23)13-14-4-6-15(7-5-14)17(18,19)20/h4-7H,2-3,8-13H2,1H3,(H,21,24)