(2S)-N-(2,6-dimethylphenyl)-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(2,6-dimethylphenyl)-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(2,6-dimethylphenyl)-2-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-(2,6-dimethylphenyl)-2-[[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(2,6-dimethylphenyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-(2,6-dimethylphenyl)-2-[[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]propionamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCOC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CCOC

InChI

InChI=1S/C22H25N3O3S/c1-14-8-7-9-15(2)19(14)24-20(26)16(3)29-22-23-18-11-6-5-10-17(18)21(27)25(22)12-13-28-4/h5-11,16H,12-13H2,1-4H3,(H,24,26)/t16-/m0/s1