2-[3-[4-[(2S)-butan-2-yl]phenyl]-6-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-ethyl-ethanamide

Systemtic Name: 2-[3-[4-[(2S)-butan-2-yl]phenyl]-6-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-ethyl-ethanamide Openeye Name: 2-[6-chloro-3-[4-[(1S)-1-methylpropyl]phenyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-ethyl-acetamide CAS Name: 2-[[3-[4-[(2S)-butan-2-yl]phenyl]-6-chloro-4-oxo-2-quinazolinyl]thio]-N-ethylacetamide IUPAC Name: 2-[3-[4-[(2S)-butan-2-yl]phenyl]-6-chloro-4-oxoquinazolin-2-yl]sulfanyl-N-ethylacetamide Traditional Name: 2-[[6-chloro-4-keto-3-[4-[(1S)-1-methylpropyl]phenyl]quinazolin-2-yl]thio]-N-ethyl-acetamide Formula: C22H24ClN3O2S MolecularWeight: 429.96286

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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)NCC

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O2S/c1-4-14(3)15-6-9-17(10-7-15)26-21(28)18-12-16(23)8-11-19(18)25-22(26)29-13-20(27)24-5-2/h6-12,14H,4-5,13H2,1-3H3,(H,24,27)/t14-/m0/s1