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

Systemtic Name: (2R)-N-(2-ethanoylphenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(2-acetylphenyl)-2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(2-acetylphenyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-(2-acetylphenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(2-acetylphenyl)-2-[(3-allyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C)SC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C(=O)C)SC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C22H21N3O3S/c1-4-13-25-21(28)17-10-6-8-12-19(17)24-22(25)29-15(3)20(27)23-18-11-7-5-9-16(18)14(2)26/h4-12,15H,1,13H2,2-3H3,(H,23,27)/t15-/m1/s1