2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2,4-dimethylphenyl)ethanamide

Systemtic Name: 2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2,4-dimethylphenyl)ethanamide Openeye Name: N-(2,4-dimethylphenyl)-2-[3-[(1S)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-[(2S)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]-N-(2,4-dimethylphenyl)acetamide IUPAC Name: 2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4-dimethylphenyl)acetamide Traditional Name: N-(2,4-dimethylphenyl)-2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]acetamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)C)C

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C22H25N3O2S/c1-5-16(4)25-21(27)17-8-6-7-9-19(17)24-22(25)28-13-20(26)23-18-11-10-14(2)12-15(18)3/h6-12,16H,5,13H2,1-4H3,(H,23,26)/t16-/m0/s1