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

Systemtic Name: 2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C23H14FN5O4S2 MolecularWeight: 507.516763

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)[N+](=O)[O-])C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)F

InChI

InChI=1S/C23H14FN5O4S2/c24-13-5-7-14(8-6-13)28-21(31)16-3-1-2-4-17(16)26-23(28)34-12-20(30)27-22-25-18-10-9-15(29(32)33)11-19(18)35-22/h1-11H,12H2,(H,25,27,30)