S-quinolin-2-yl 4-[4-[5-[(ethanethioylamino)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carbothioate

Systemtic Name: S-quinolin-2-yl 4-[4-[5-[(ethanethioylamino)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carbothioate Openeye Name: S-(2-quinolyl) 4-[4-[5-[(ethanethioylamino)methyl]-2-oxo-oxazolidin-3-yl]-2-fluoro-phenyl]piperazine-1-carbothioate CAS Name: 4-[2-fluoro-4-[2-oxo-5-[(1-sulfanylideneethylamino)methyl]-3-oxazolidinyl]phenyl]-1-piperazinecarbothioic acid S-(2-quinolinyl) ester IUPAC Name: S-quinolin-2-yl 4-[4-[5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbothioate Traditional Name: 4-[2-fluoro-4-[2-keto-5-[(thioacetylamino)methyl]oxazolidin-3-yl]phenyl]piperazine-1-carbothioic acid S-(2-quinolyl) ester Formula: C26H26FN5O3S2 MolecularWeight: 539.644743

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)SC4=NC5=CC=CC=C5C=C4)F

Isomeric SMILES

CC(=S)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)SC4=NC5=CC=CC=C5C=C4)F

InChI

InChI=1S/C26H26FN5O3S2/c1-17(36)28-15-20-16-32(25(33)35-20)19-7-8-23(21(27)14-19)30-10-12-31(13-11-30)26(34)37-24-9-6-18-4-2-3-5-22(18)29-24/h2-9,14,20H,10-13,15-16H2,1H3,(H,28,36)