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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)Cl

InChI

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