N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[3-[(1S)-2-methoxy-1-methyl-ethyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[[3-[(2S)-1-methoxypropan-2-yl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[[4-keto-3-[(1S)-2-methoxy-1-methyl-ethyl]quinazolin-2-yl]thio]acetamide Formula: C21H19FN4O3S2 MolecularWeight: 458.528963

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

C[C@@H](COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C21H19FN4O3S2/c1-12(10-29-2)26-19(28)14-5-3-4-6-15(14)24-21(26)30-11-18(27)25-20-23-16-8-7-13(22)9-17(16)31-20/h3-9,12H,10-11H2,1-2H3,(H,23,25,27)/t12-/m0/s1