2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)ethanamide

Systemtic Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-quinazolinyl]thio]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[(3-homoveratryl-4-keto-quinazolin-2-yl)thio]-N-p-phenetyl-acetamide Formula: C28H29N3O5S MolecularWeight: 519.61196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H29N3O5S/c1-4-36-21-12-10-20(11-13-21)29-26(32)18-37-28-30-23-8-6-5-7-22(23)27(33)31(28)16-15-19-9-14-24(34-2)25(17-19)35-3/h5-14,17H,4,15-16,18H2,1-3H3,(H,29,32)