2-[3-[4-[(2S)-butan-2-yl]phenyl]-6-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylethanamide

Systemtic Name: 2-[3-[4-[(2S)-butan-2-yl]phenyl]-6-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylethanamide Openeye Name: 2-[6-chloro-3-[4-[(1S)-1-methylpropyl]phenyl]-4-oxo-quinazolin-2-yl]sulfanylacetamide CAS Name: 2-[[3-[4-[(2S)-butan-2-yl]phenyl]-6-chloro-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: 2-[3-[4-[(2S)-butan-2-yl]phenyl]-6-chloro-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[6-chloro-4-keto-3-[4-[(1S)-1-methylpropyl]phenyl]quinazolin-2-yl]thio]acetamide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCC(=O)N

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCC(=O)N

InChI

InChI=1S/C20H20ClN3O2S/c1-3-12(2)13-4-7-15(8-5-13)24-19(26)16-10-14(21)6-9-17(16)23-20(24)27-11-18(22)25/h4-10,12H,3,11H2,1-2H3,(H2,22,25)/t12-/m0/s1