N-(4-fluorophenyl)-2-[[3-(2-methylprop-2-enyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[[3-(2-methylprop-2-enyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[[3-(2-methylallyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(4-fluorophenyl)-2-[[3-(2-methylprop-2-enyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[[3-(2-methylprop-2-enyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[[4-keto-3-(2-methylallyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C22H22FN3O2S2 MolecularWeight: 443.557383

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)F)SC4=C2CCCC4

Isomeric SMILES

CC(=C)CN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)F)SC4=C2CCCC4

InChI

InChI=1S/C22H22FN3O2S2/c1-13(2)11-26-21(28)19-16-5-3-4-6-17(16)30-20(19)25-22(26)29-12-18(27)24-15-9-7-14(23)8-10-15/h7-10H,1,3-6,11-12H2,2H3,(H,24,27)