2-[6-bromanyl-4-oxidanylidene-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanyl-N-cyclopropyl-ethanamide

Systemtic Name: 2-[6-bromanyl-4-oxidanylidene-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanyl-N-cyclopropyl-ethanamide Openeye Name: 2-[6-bromo-4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanyl-N-cyclopropyl-acetamide CAS Name: 2-[[6-bromo-4-oxo-3-[(1R)-1-phenylethyl]-2-quinazolinyl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[6-bromo-4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanyl-N-cyclopropylacetamide Traditional Name: 2-[[6-bromo-4-keto-3-[(1R)-1-phenylethyl]quinazolin-2-yl]thio]-N-cyclopropyl-acetamide Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC(=O)NC4CC4

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC(=O)NC4CC4

InChI

InChI=1S/C21H20BrN3O2S/c1-13(14-5-3-2-4-6-14)25-20(27)17-11-15(22)7-10-18(17)24-21(25)28-12-19(26)23-16-8-9-16/h2-7,10-11,13,16H,8-9,12H2,1H3,(H,23,26)/t13-/m1/s1