2-[[3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxidanylidene-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[[3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxidanylidene-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide CAS Name: 2-[[3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-5-thiazolo[4,5-d]pyrimidinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide Traditional Name: N-benzyl-2-[[6-(4-fluorophenyl)-7-keto-3-o-phenetyl-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]thio]acetamide Formula: C28H23FN4O3S3 MolecularWeight: 578.700623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC(=O)NCC4=CC=CC=C4)C5=CC=C(C=C5)F)SC2=S

Isomeric SMILES

CCOC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC(=O)NCC4=CC=CC=C4)C5=CC=C(C=C5)F)SC2=S

InChI

InChI=1S/C28H23FN4O3S3/c1-2-36-22-11-7-6-10-21(22)33-25-24(39-28(33)37)26(35)32(20-14-12-19(29)13-15-20)27(31-25)38-17-23(34)30-16-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3,(H,30,34)