N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[(5-bromo-2-fluorophenyl)methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-[(5-bromo-2-fluorophenyl)methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-(5-bromo-2-fluoro-benzyl)-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C21H21BrFN3O2S MolecularWeight: 478.377743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCCCC(=O)NCC3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCCCC(=O)NCC3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C21H21BrFN3O2S/c22-15-9-10-17(23)14(12-15)13-24-19(27)8-2-1-5-11-26-20(28)16-6-3-4-7-18(16)25-21(26)29/h3-4,6-7,9-10,12H,1-2,5,8,11,13H2,(H,24,27)(H,25,29)