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

Systemtic Name: N-butyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-butyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-butyl-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-butyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C16H22F3N3S MolecularWeight: 345.42619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22F3N3S/c1-2-3-7-20-15(23)22-10-8-21(9-11-22)14-6-4-5-13(12-14)16(17,18)19/h4-6,12H,2-3,7-11H2,1H3,(H,20,23)