3-(1,3-benzothiazol-2-yl)-8-[(4-methylpiperazin-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[(4-methylpiperazin-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(4-methyl-1-piperazinyl)methyl]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(4-methylpiperazino)methyl]-2-(trifluoromethyl)chromone Formula: C23H20F3N3O3S MolecularWeight: 475.48341

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)C(F)(F)F)O

Isomeric SMILES

CN1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)C(F)(F)F)O

InChI

InChI=1S/C23H20F3N3O3S/c1-28-8-10-29(11-9-28)12-14-16(30)7-6-13-19(31)18(21(23(24,25)26)32-20(13)14)22-27-15-4-2-3-5-17(15)33-22/h2-7,30H,8-12H2,1H3