3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-homoveratryl-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]quinazolin-4-one Formula: C27H26N2O5S MolecularWeight: 490.57074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H26N2O5S/c1-32-20-11-9-19(10-12-20)23(30)17-35-27-28-22-7-5-4-6-21(22)26(31)29(27)15-14-18-8-13-24(33-2)25(16-18)34-3/h4-13,16H,14-15,17H2,1-3H3