2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(6-bromo-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: 2-[[6-bromo-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[6-bromo-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[(6-bromo-3-isobutyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H22BrN3O2S MolecularWeight: 460.38728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H22BrN3O2S/c1-14(2)12-25-20(27)17-10-16(22)8-9-18(17)24-21(25)28-13-19(26)23-11-15-6-4-3-5-7-15/h3-10,14H,11-13H2,1-2H3,(H,23,26)