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

Systemtic Name: 3-cyclopropyl-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-cyclopropyl-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-cyclopropyl-2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-cyclopropyl-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-cyclopropyl-2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl]thio]quinazolin-4-one Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5CC5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5CC5)OC1

InChI

InChI=1S/C22H20N2O4S/c25-18(14-6-9-19-20(12-14)28-11-3-10-27-19)13-29-22-23-17-5-2-1-4-16(17)21(26)24(22)15-7-8-15/h1-2,4-6,9,12,15H,3,7-8,10-11,13H2