3-(1,3-benzothiazol-2-yl)-1-ethyl-6,8-bis(fluoranyl)-7-(3-methylpiperazin-1-yl)quinolin-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-ethyl-6,8-bis(fluoranyl)-7-(3-methylpiperazin-1-yl)quinolin-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-ethyl-6,8-difluoro-7-(3-methyl-1-piperazinyl)-4-quinolinone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-ethyl-6,8-difluoro-7-(3-methylpiperazino)-4-quinolone Formula: C23H22F2N4OS MolecularWeight: 440.508786

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H22F2N4OS/c1-3-28-12-15(23-27-17-6-4-5-7-18(17)31-23)22(30)14-10-16(24)21(19(25)20(14)28)29-9-8-26-13(2)11-29/h4-7,10,12-13,26H,3,8-9,11H2,1-2H3