2-[1-[3,4-bis(oxidanyl)phenyl]-1-oxidanylidene-butan-2-yl]sulfanyl-1H-quinazolin-4-one

Systemtic Name: 2-[1-[3,4-bis(oxidanyl)phenyl]-1-oxidanylidene-butan-2-yl]sulfanyl-1H-quinazolin-4-one Openeye Name: 2-[1-(3,4-dihydroxybenzoyl)propylsulfanyl]-1H-quinazolin-4-one CAS Name: 2-[[1-(3,4-dihydroxyphenyl)-1-oxobutan-2-yl]thio]-1H-quinazolin-4-one IUPAC Name: 2-[1-(3,4-dihydroxyphenyl)-1-oxobutan-2-yl]sulfanyl-1H-quinazolin-4-one Traditional Name: 2-(1-protocatechuoylpropylthio)-1H-quinazolin-4-one Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC(=C(C=C1)O)O)SC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCC(C(=O)C1=CC(=C(C=C1)O)O)SC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C18H16N2O4S/c1-2-15(16(23)10-7-8-13(21)14(22)9-10)25-18-19-12-6-4-3-5-11(12)17(24)20-18/h3-9,15,21-22H,2H2,1H3,(H,19,20,24)