(2R)-N-(2-cyanoethyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-phenyl-propanamide

Systemtic Name: (2R)-N-(2-cyanoethyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-phenyl-propanamide Openeye Name: (2R)-2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-phenylpropanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-phenylpropanamide Traditional Name: (2R)-2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(2-cyanoethyl)-N-phenyl-propionamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

C[C@H](C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C23H22N4O2S/c1-3-15-27-22(29)19-12-7-8-13-20(19)25-23(27)30-17(2)21(28)26(16-9-14-24)18-10-5-4-6-11-18/h3-8,10-13,17H,1,9,15-16H2,2H3/t17-/m1/s1