N-(2,3-dimethylphenyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]acetamide Formula: C24H22N4O2S MolecularWeight: 430.52208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4)C

InChI

InChI=1S/C24H22N4O2S/c1-16-7-5-11-20(17(16)2)26-22(29)15-31-24-27-21-10-4-3-9-19(21)23(30)28(24)14-18-8-6-12-25-13-18/h3-13H,14-15H2,1-2H3,(H,26,29)