4-[(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: 4-[(6-bromanyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanylmethyl]benzamide Openeye Name: 4-[(6-bromo-4-oxo-3-pentyl-quinazolin-2-yl)sulfanylmethyl]benzamide CAS Name: 4-[[(6-bromo-4-oxo-3-pentyl-2-quinazolinyl)thio]methyl]benzamide IUPAC Name: 4-[(6-bromo-4-oxo-3-pentylquinazolin-2-yl)sulfanylmethyl]benzamide Traditional Name: 4-[[(3-amyl-6-bromo-4-keto-quinazolin-2-yl)thio]methyl]benzamide Formula: C21H22BrN3O2S MolecularWeight: 460.38728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H22BrN3O2S/c1-2-3-4-11-25-20(27)17-12-16(22)9-10-18(17)24-21(25)28-13-14-5-7-15(8-6-14)19(23)26/h5-10,12H,2-4,11,13H2,1H3,(H2,23,26)