3-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylallylsulfanyl)quinazolin-4-one CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylprop-2-enylthio)-4-quinazolinone IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one Traditional Name: 2-(2-methylallylthio)-3-veratryl-quinazolin-4-one Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(=C)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H22N2O3S/c1-14(2)13-27-21-22-17-8-6-5-7-16(17)20(24)23(21)12-15-9-10-18(25-3)19(11-15)26-4/h5-11H,1,12-13H2,2-4H3