N-(2,4-dimethylphenyl)-2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(2,4-dimethylphenyl)-2-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2,4-dimethylphenyl)-2-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2,4-dimethylphenyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(2,4-dimethylphenyl)-2-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]propionamide Formula: C26H25N3O3S MolecularWeight: 459.56

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)OC)C

InChI

InChI=1S/C26H25N3O3S/c1-16-12-13-22(17(2)14-16)27-24(30)18(3)33-26-28-23-11-6-5-10-21(23)25(31)29(26)19-8-7-9-20(15-19)32-4/h5-15,18H,1-4H3,(H,27,30)