(2S)-N,N-dimethyl-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-2-phenyl-ethanamide

Systemtic Name: (2S)-N,N-dimethyl-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-2-phenyl-ethanamide Openeye Name: (2S)-2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenyl-acetamide CAS Name: (2S)-N,N-dimethyl-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-2-phenylacetamide IUPAC Name: (2S)-N,N-dimethyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-2-phenylacetamide Traditional Name: (2S)-2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N,N-dimethyl-2-phenyl-acetamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S/c1-4-14-24-19(25)16-12-8-9-13-17(16)22-21(24)27-18(20(26)23(2)3)15-10-6-5-7-11-15/h4-13,18H,1,14H2,2-3H3/t18-/m0/s1