3-[(2S)-butan-2-yl]-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[(2S)-butan-2-yl]-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]sulfanyl-3-[(1S)-1-methylpropyl]quinazolin-4-one CAS Name: 3-[(2S)-butan-2-yl]-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-[(2S)-butan-2-yl]-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]thio]-3-[(1S)-1-methylpropyl]quinazolin-4-one Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H22N2O4S/c1-3-14(2)24-21(26)16-6-4-5-7-17(16)23-22(24)29-13-18(25)15-8-9-19-20(12-15)28-11-10-27-19/h4-9,12,14H,3,10-11,13H2,1-2H3/t14-/m0/s1