N-[(2-fluorophenyl)methyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-[(2-fluorophenyl)methyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-[(2-fluorophenyl)methyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[(2-fluorophenyl)methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-[(2-fluorophenyl)methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-(2-fluorobenzyl)-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)F

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)F

InChI

InChI=1S/C21H22FN3O2S/c22-17-10-5-3-8-15(17)14-23-19(26)12-2-1-7-13-25-20(27)16-9-4-6-11-18(16)24-21(25)28/h3-6,8-11H,1-2,7,12-14H2,(H,23,26)(H,24,28)