(2R)-N-[(4-methylphenyl)methyl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-[(4-methylphenyl)methyl]-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-(p-tolylmethyl)propanamide CAS Name: (2R)-N-[(4-methylphenyl)methyl]-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-[(4-methylphenyl)methyl]-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(4-methylbenzyl)propionamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2S/c1-4-13-25-21(27)18-7-5-6-8-19(18)24-22(25)28-16(3)20(26)23-14-17-11-9-15(2)10-12-17/h4-12,16H,1,13-14H2,2-3H3,(H,23,26)/t16-/m1/s1