N-[(2S)-butan-2-yl]-2-[7-chloranyl-3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[7-chloranyl-3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[7-chloro-4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanyl-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[[7-chloro-3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[7-chloro-4-keto-3-(p-tolyl)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=C(C=CC(=C2)Cl)C(=O)N1C3=CC=C(C=C3)C

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=C(C=C3)C

InChI

InChI=1S/C21H22ClN3O2S/c1-4-14(3)23-19(26)12-28-21-24-18-11-15(22)7-10-17(18)20(27)25(21)16-8-5-13(2)6-9-16/h5-11,14H,4,12H2,1-3H3,(H,23,26)/t14-/m0/s1