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

Systemtic Name: 2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-chlorophenyl)methyl]ethanamide Openeye Name: N-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]acetamide IUPAC Name: 2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-chlorophenyl)methyl]acetamide Traditional Name: N-(4-chlorobenzyl)-2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]acetamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2S/c1-3-14(2)25-20(27)17-6-4-5-7-18(17)24-21(25)28-13-19(26)23-12-15-8-10-16(22)11-9-15/h4-11,14H,3,12-13H2,1-2H3,(H,23,26)/t14-/m0/s1