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

Systemtic Name: N-(2-ethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-(2-ethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-(2-ethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-ethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-o-phenetyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C20H22F3N3OS MolecularWeight: 409.46839

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3OS/c1-2-27-18-9-4-3-8-17(18)24-19(28)26-12-10-25(11-13-26)16-7-5-6-15(14-16)20(21,22)23/h3-9,14H,2,10-13H2,1H3,(H,24,28)