N-(3,5-dimethylphenyl)-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]acetamide Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC)C

InChI

InChI=1S/C21H23N3O3S/c1-14-10-15(2)12-16(11-14)22-19(25)13-28-21-23-18-7-5-4-6-17(18)20(26)24(21)8-9-27-3/h4-7,10-12H,8-9,13H2,1-3H3,(H,22,25)