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

Systemtic Name: 2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-ethanoylphenyl)ethanamide Openeye Name: N-(2-acetylphenyl)-2-[3-[(1S)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-acetylphenyl)-2-[[3-[(2S)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-acetylphenyl)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-acetylphenyl)-2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]acetamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3C(=O)C

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3C(=O)C

InChI

InChI=1S/C22H23N3O3S/c1-4-14(2)25-21(28)17-10-6-8-12-19(17)24-22(25)29-13-20(27)23-18-11-7-5-9-16(18)15(3)26/h5-12,14H,4,13H2,1-3H3,(H,23,27)/t14-/m0/s1