2-[[3-(3,3-diethoxypropyl)-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[[3-(3,3-diethoxypropyl)-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[3-(3,3-diethoxypropyl)-4-oxo-benzothiopheno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide CAS Name: 2-[[3-(3,3-diethoxypropyl)-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[[3-(3,3-diethoxypropyl)-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[3-(3,3-diethoxypropyl)-4-keto-benzothiopheno[3,2-d]pyrimidin-2-yl]thio]-N-(4-fluorophenyl)acetamide Formula: C25H26FN3O4S2 MolecularWeight: 515.620043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)NC4=CC=C(C=C4)F)OCC

Isomeric SMILES

CCOC(CCN1C(=O)C2=C(C3=CC=CC=C3S2)N=C1SCC(=O)NC4=CC=C(C=C4)F)OCC

InChI

InChI=1S/C25H26FN3O4S2/c1-3-32-21(33-4-2)13-14-29-24(31)23-22(18-7-5-6-8-19(18)35-23)28-25(29)34-15-20(30)27-17-11-9-16(26)10-12-17/h5-12,21H,3-4,13-15H2,1-2H3,(H,27,30)