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

Systemtic Name: (2S)-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methylphenyl)propanamide Openeye Name: (2S)-2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(o-tolyl)propanamide CAS Name: (2S)-2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-methylphenyl)propanamide IUPAC Name: (2S)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylphenyl)propanamide Traditional Name: (2S)-2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(o-tolyl)propionamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC(=C4)C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC(=C4)C)C

InChI

InChI=1S/C26H25N3O2S/c1-16-13-17(2)15-20(14-16)29-25(31)21-10-6-8-12-23(21)28-26(29)32-19(4)24(30)27-22-11-7-5-9-18(22)3/h5-15,19H,1-4H3,(H,27,30)/t19-/m0/s1