8-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-2,3-dihydrothiochromen-4-one

Systemtic Name: 8-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-2,3-dihydrothiochromen-4-one Openeye Name: 8-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]thiochroman-4-one CAS Name: 8-[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-2,3-dihydro-1-benzothiopyran-4-one IUPAC Name: 8-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-2,3-dihydrothiochromen-4-one Traditional Name: 8-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]thiochroman-4-one Formula: C21H19F3N2O2S MolecularWeight: 420.44797

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1=O)C=CC=C2C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CSC2=C(C1=O)C=CC=C2C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H19F3N2O2S/c22-21(23,24)14-3-1-4-15(13-14)25-8-10-26(11-9-25)20(28)17-6-2-5-16-18(27)7-12-29-19(16)17/h1-6,13H,7-12H2