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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CC=C)C

InChI

InChI=1S/C22H23N3O2S/c1-5-12-25-21(27)17-8-6-7-9-19(17)24-22(25)28-16(4)20(26)23-18-11-10-14(2)13-15(18)3/h5-11,13,16H,1,12H2,2-4H3,(H,23,26)/t16-/m0/s1