2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-3-(3-ethoxypropyl)quinazolin-4-one

Systemtic Name: 2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-3-(3-ethoxypropyl)quinazolin-4-one Openeye Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-3-(3-ethoxypropyl)quinazolin-4-one CAS Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-3-(3-ethoxypropyl)-4-quinazolinone IUPAC Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-3-(3-ethoxypropyl)quinazolin-4-one Traditional Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-3-(3-ethoxypropyl)quinazolin-4-one Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C22H23ClN2O4S/c1-2-27-9-5-8-25-21(26)16-6-3-4-7-18(16)24-22(25)30-14-15-12-17(23)20-19(13-15)28-10-11-29-20/h3-4,6-7,12-13H,2,5,8-11,14H2,1H3