(2S)-N-(2,5-dimethylphenyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(2,5-dimethylphenyl)-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-(2,5-dimethylphenyl)-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]propanamide IUPAC Name: (2S)-N-(2,5-dimethylphenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(2,5-dimethylphenyl)-2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2C(C)C

InChI

InChI=1S/C22H25N3O2S/c1-13(2)25-21(27)17-8-6-7-9-18(17)24-22(25)28-16(5)20(26)23-19-12-14(3)10-11-15(19)4/h6-13,16H,1-5H3,(H,23,26)/t16-/m0/s1