2-(1,3-benzodioxol-5-ylmethylsulfanyl)-6-chloranyl-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-6-chloranyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-6-chloro-3-isobutyl-quinazolin-4-one CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-6-chloro-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-6-chloro-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 6-chloro-3-isobutyl-2-(piperonylthio)quinazolin-4-one Formula: C20H19ClN2O3S MolecularWeight: 402.89446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19ClN2O3S/c1-12(2)9-23-19(24)15-8-14(21)4-5-16(15)22-20(23)27-10-13-3-6-17-18(7-13)26-11-25-17/h3-8,12H,9-11H2,1-2H3