N-(2-methoxy-5-phenyl-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: N-(2-methoxy-5-phenyl-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-(2-methoxy-5-phenyl-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-(2-methoxy-5-phenylphenyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxy-5-phenylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-(2-methoxy-5-phenyl-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C25H24F3N3OS MolecularWeight: 471.53777

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C25H24F3N3OS/c1-32-23-11-10-19(18-6-3-2-4-7-18)16-22(23)29-24(33)31-14-12-30(13-15-31)21-9-5-8-20(17-21)25(26,27)28/h2-11,16-17H,12-15H2,1H3,(H,29,33)