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

Systemtic Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl]sulfanyl-3-ethyl-quinazolin-4-one Openeye Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl]sulfanyl-3-ethyl-quinazolin-4-one CAS Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]thio]-3-ethyl-4-quinazolinone IUPAC Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]sulfanyl-3-ethylquinazolin-4-one Traditional Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl]thio]-3-ethyl-quinazolin-4-one Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H20N2O4S/c1-2-23-20(25)15-6-3-4-7-16(15)22-21(23)28-13-17(24)14-8-9-18-19(12-14)27-11-5-10-26-18/h3-4,6-9,12H,2,5,10-11,13H2,1H3