N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C20H17FN4O3S2 MolecularWeight: 444.502383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)F)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)F)CCCO

InChI

InChI=1S/C20H17FN4O3S2/c21-12-6-7-15-16(10-12)30-19(22-15)24-17(27)11-29-20-23-14-5-2-1-4-13(14)18(28)25(20)8-3-9-26/h1-2,4-7,10,26H,3,8-9,11H2,(H,22,24,27)