1-ethyl-6-fluoranyl-7-[4-[(2-methoxydibenzofuran-3-yl)carbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[(2-methoxydibenzofuran-3-yl)carbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-[(2-methoxydibenzofuran-3-yl)carbamothioyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[[(2-methoxy-3-dibenzofuranyl)amino]-sulfanylidenemethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[(2-methoxydibenzofuran-3-yl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[(2-methoxydibenzofuran-3-yl)thiocarbamoyl]piperazino]quinoline-3-carboxylic acid Formula: C30H27FN4O5S MolecularWeight: 574.622583

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=C(C=C5C6=CC=CC=C6OC5=C4)OC)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=C(C=C5C6=CC=CC=C6OC5=C4)OC)F)C(=O)O

InChI

InChI=1S/C30H27FN4O5S/c1-3-33-16-20(29(37)38)28(36)19-12-21(31)24(15-23(19)33)34-8-10-35(11-9-34)30(41)32-22-14-26-18(13-27(22)39-2)17-6-4-5-7-25(17)40-26/h4-7,12-16H,3,8-11H2,1-2H3,(H,32,41)(H,37,38)