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

Systemtic Name: 2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]ethanamide Openeye Name: 2-[3-[(1S)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(p-tolylmethyl)acetamide CAS Name: 2-[[3-[(2S)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]-N-[(4-methylphenyl)methyl]acetamide IUPAC Name: 2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide Traditional Name: 2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]-N-(4-methylbenzyl)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)NCC3=CC=C(C=C3)C

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)C

InChI

InChI=1S/C22H25N3O2S/c1-4-16(3)25-21(27)18-7-5-6-8-19(18)24-22(25)28-14-20(26)23-13-17-11-9-15(2)10-12-17/h5-12,16H,4,13-14H2,1-3H3,(H,23,26)/t16-/m0/s1