N-[(2S)-butan-2-yl]-2-[7-chloranyl-3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[7-chloranyl-3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[7-chloro-3-(2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[7-chloro-4-keto-3-(2-methoxy-5-methyl-phenyl)quinazolin-2-yl]thio]-N-[(1S)-1-methylpropyl]acetamide Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=C(C=CC(=C3)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O3S/c1-5-14(3)24-20(27)12-30-22-25-17-11-15(23)7-8-16(17)21(28)26(22)18-10-13(2)6-9-19(18)29-4/h6-11,14H,5,12H2,1-4H3,(H,24,27)/t14-/m0/s1