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

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-3-(3-ethoxypropyl)quinazolin-4-one Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-3-(3-ethoxypropyl)quinazolin-4-one CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-3-(3-ethoxypropyl)-4-quinazolinone IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-3-(3-ethoxypropyl)quinazolin-4-one Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-3-(3-ethoxypropyl)quinazolin-4-one Formula: C23H25ClN2O4S MolecularWeight: 460.9736

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C23H25ClN2O4S/c1-2-28-10-5-9-26-22(27)17-7-3-4-8-19(17)25-23(26)31-15-16-13-18(24)21-20(14-16)29-11-6-12-30-21/h3-4,7-8,13-14H,2,5-6,9-12,15H2,1H3