N-(6-fluoranyl-1,3-benzothiazol-2-yl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C21H19FN4O2S2 MolecularWeight: 442.529563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCCCC(=O)NC3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCCCC(=O)NC3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C21H19FN4O2S2/c22-13-9-10-16-17(12-13)30-20(23-16)25-18(27)8-2-1-5-11-26-19(28)14-6-3-4-7-15(14)24-21(26)29/h3-4,6-7,9-10,12H,1-2,5,8,11H2,(H,24,29)(H,23,25,27)