2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-6-bromanyl-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-6-bromanyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-6-bromo-3-isobutyl-quinazolin-4-one CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-6-bromo-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-6-bromo-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-6-bromo-3-isobutyl-quinazolin-4-one Formula: C21H19BrN2O4S MolecularWeight: 475.35556

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)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19BrN2O4S/c1-12(2)9-24-20(26)15-8-14(22)4-5-16(15)23-21(24)29-10-17(25)13-3-6-18-19(7-13)28-11-27-18/h3-8,12H,9-11H2,1-2H3