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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-homoveratryl-2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]acetamide Formula: C26H25N3O4S MolecularWeight: 475.5594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)OC

InChI

InChI=1S/C26H25N3O4S/c1-32-22-13-12-18(16-23(22)33-2)14-15-27-24(30)17-34-26-28-21-11-7-6-10-20(21)25(31)29(26)19-8-4-3-5-9-19/h3-13,16H,14-15,17H2,1-2H3,(H,27,30)