2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-4H-1,4-benzothiazin-3-one

Systemtic Name: 2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-4H-1,4-benzothiazin-3-one Openeye Name: 2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one CAS Name: 2-methyl-6-[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one Traditional Name: 2-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one Formula: C21H20F3N3O2S MolecularWeight: 435.46261

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O2S/c1-13-19(28)25-17-11-14(5-6-18(17)30-13)20(29)27-9-7-26(8-10-27)16-4-2-3-15(12-16)21(22,23)24/h2-6,11-13H,7-10H2,1H3,(H,25,28)