N-(4-butan-2-ylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-butan-2-ylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-(4-sec-butylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-(4-butan-2-ylphenyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-butan-2-ylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-(4-sec-butylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C22H26F3N3S MolecularWeight: 421.52215

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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