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

Systemtic Name: (2R)-N-(4-cyanophenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-cyanophenyl)propanamide CAS Name: (2R)-N-(4-cyanophenyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-(4-cyanophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(4-cyanophenyl)propionamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)SC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)SC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C21H18N4O2S/c1-3-12-25-20(27)17-6-4-5-7-18(17)24-21(25)28-14(2)19(26)23-16-10-8-15(13-22)9-11-16/h3-11,14H,1,12H2,2H3,(H,23,26)/t14-/m1/s1