S-piperazin-2-yl 4-[4-[5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carbothioate

Systemtic Name: S-piperazin-2-yl 4-[4-[5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazine-1-carbothioate Openeye Name: S-piperazin-2-yl 4-[4-[5-(acetamidomethyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenyl]piperazine-1-carbothioate CAS Name: 4-[4-[5-(acetamidomethyl)-2-oxo-3-oxazolidinyl]-2-fluorophenyl]-1-piperazinecarbothioic acid S-(2-piperazinyl) ester IUPAC Name: S-piperazin-2-yl 4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carbothioate Traditional Name: 4-[4-[5-(acetamidomethyl)-2-keto-oxazolidin-3-yl]-2-fluoro-phenyl]piperazine-1-carbothioic acid S-piperazin-2-yl ester Formula: C21H29FN6O4S MolecularWeight: 480.556163

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)SC4CNCCN4)F

Isomeric SMILES

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)SC4CNCCN4)F

InChI

InChI=1S/C21H29FN6O4S/c1-14(29)25-11-16-13-28(20(30)32-16)15-2-3-18(17(22)10-15)26-6-8-27(9-7-26)21(31)33-19-12-23-4-5-24-19/h2-3,10,16,19,23-24H,4-9,11-13H2,1H3,(H,25,29)