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

Systemtic Name: 2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)ethanamide Openeye Name: N-(2-isopropylphenyl)-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-propan-2-ylphenyl)acetamide IUPAC Name: 2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide Traditional Name: 2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]-N-o-cumenyl-acetamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/c1-5-16(4)26-22(28)18-11-7-9-13-20(18)25-23(26)29-14-21(27)24-19-12-8-6-10-17(19)15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,24,27)/t16-/m0/s1