N-(2,5-dimethylphenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide CAS Name: N-(2,5-dimethylphenyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(2,5-dimethylphenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(2,5-dimethylphenyl)propionamide Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C22H23N3O2S/c1-5-12-25-21(27)17-8-6-7-9-18(17)24-22(25)28-16(4)20(26)23-19-13-14(2)10-11-15(19)3/h5-11,13,16H,1,12H2,2-4H3,(H,23,26)