2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl]sulfanyl-3-propyl-quinazolin-4-one

Systemtic Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]thio]-3-propyl-4-quinazolinone IUPAC Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl]thio]-3-propyl-quinazolin-4-one Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H22N2O4S/c1-2-10-24-21(26)16-6-3-4-7-17(16)23-22(24)29-14-18(25)15-8-9-19-20(13-15)28-12-5-11-27-19/h3-4,6-9,13H,2,5,10-12,14H2,1H3