3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)quinazolin-4-one CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-quinazolinone IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)quinazolin-4-one Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)quinazolin-4-one Formula: C27H24N2O5S MolecularWeight: 488.55486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=O)N2CC4COC5=CC=CC=C5O4

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=O)N2CC4COC5=CC=CC=C5O4

InChI

InChI=1S/C27H24N2O5S/c1-17(30)18-11-12-23(32-2)19(13-18)16-35-27-28-22-8-4-3-7-21(22)26(31)29(27)14-20-15-33-24-9-5-6-10-25(24)34-20/h3-13,20H,14-16H2,1-2H3