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

Systemtic Name: (2S)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-propyl-propanamide Openeye Name: (2S)-2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-propyl-propanamide CAS Name: (2S)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-propylpropanamide IUPAC Name: (2S)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-propylpropanamide Traditional Name: (2S)-2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-propyl-propionamide Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CC=C

Isomeric SMILES

CCCNC(=O)[C@H](C)SC1=NC2=CC=CC=C2C(=O)N1CC=C

InChI

InChI=1S/C17H21N3O2S/c1-4-10-18-15(21)12(3)23-17-19-14-9-7-6-8-13(14)16(22)20(17)11-5-2/h5-9,12H,2,4,10-11H2,1,3H3,(H,18,21)/t12-/m0/s1