2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-isobutyl-quinazolin-4-one CAS Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-3-isobutyl-quinazolin-4-one Formula: C21H21ClN2O3S MolecularWeight: 416.92104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C21H21ClN2O3S/c1-13(2)9-24-20(25)17-5-3-4-6-18(17)23-21(24)28-11-15-8-16(22)7-14-10-26-12-27-19(14)15/h3-8,13H,9-12H2,1-2H3