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

Systemtic Name: 2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-benzothiopheno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide CAS Name: 2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide Traditional Name: N-(4-fluorophenyl)-2-[(3-homoveratryl-4-keto-benzothiopheno[3,2-d]pyrimidin-2-yl)thio]acetamide Formula: C28H24FN3O4S2 MolecularWeight: 549.636263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC(=O)NC5=CC=C(C=C5)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC(=O)NC5=CC=C(C=C5)F)OC

InChI

InChI=1S/C28H24FN3O4S2/c1-35-21-12-7-17(15-22(21)36-2)13-14-32-27(34)26-25(20-5-3-4-6-23(20)38-26)31-28(32)37-16-24(33)30-19-10-8-18(29)9-11-19/h3-12,15H,13-14,16H2,1-2H3,(H,30,33)