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

Systemtic Name: N-(4-butylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C22H26F3N3S MolecularWeight: 421.52215

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H26F3N3S/c1-2-3-5-17-8-10-19(11-9-17)26-21(29)28-14-12-27(13-15-28)20-7-4-6-18(16-20)22(23,24)25/h4,6-11,16H,2-3,5,12-15H2,1H3,(H,26,29)