N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[6-ethyl-2-(4-fluorophenyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]thio]acetamide Formula: C27H23FN4O2S2 MolecularWeight: 518.625523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC3=NC4=C(S3)C=C(C=C4)OCC)C5=CC=C(C=C5)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC3=NC4=C(S3)C=C(C=C4)OCC)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H23FN4O2S2/c1-3-16-5-11-21-20(13-16)26(32-25(29-21)17-6-8-18(28)9-7-17)35-15-24(33)31-27-30-22-12-10-19(34-4-2)14-23(22)36-27/h5-14H,3-4,15H2,1-2H3,(H,30,31,33)