3-(3,4-dimethoxyphenyl)-2-(phenylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 2-benzylsulfanyl-3-(3,4-dimethoxyphenyl)quinazolin-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-3-(3,4-dimethoxyphenyl)quinazolin-4-one Traditional Name: 2-(benzylthio)-3-(3,4-dimethoxyphenyl)quinazolin-4-one Formula: C23H20N2O3S MolecularWeight: 404.4815

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4)OC

InChI

InChI=1S/C23H20N2O3S/c1-27-20-13-12-17(14-21(20)28-2)25-22(26)18-10-6-7-11-19(18)24-23(25)29-15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3