2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-3-(3-methoxypropyl)-4-quinazolinone IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-3-(3-methoxypropyl)quinazolin-4-one Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C22H23ClN2O4S/c1-27-9-4-8-25-21(26)16-6-2-3-7-18(16)24-22(25)30-14-15-12-17(23)20-19(13-15)28-10-5-11-29-20/h2-3,6-7,12-13H,4-5,8-11,14H2,1H3