2-[6-bromanyl-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazolin-2-yl]sulfanyl-N-ethyl-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[6-bromanyl-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazolin-2-yl]sulfanyl-N-ethyl-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[6-bromo-3-[(2S)-2-hydroxypropyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-ethyl-N-(4-fluorophenyl)acetamide CAS Name: 2-[[6-bromo-3-[(2S)-2-hydroxypropyl]-4-oxo-2-quinazolinyl]thio]-N-ethyl-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[6-bromo-3-[(2S)-2-hydroxypropyl]-4-oxoquinazolin-2-yl]sulfanyl-N-ethyl-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[6-bromo-3-[(2S)-2-hydroxypropyl]-4-keto-quinazolin-2-yl]thio]-N-ethyl-N-(4-fluorophenyl)acetamide Formula: C21H21BrFN3O3S MolecularWeight: 494.377143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)F)C(=O)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC(C)O

Isomeric SMILES

CCN(C1=CC=C(C=C1)F)C(=O)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2C[C@H](C)O

InChI

InChI=1S/C21H21BrFN3O3S/c1-3-25(16-7-5-15(23)6-8-16)19(28)12-30-21-24-18-9-4-14(22)10-17(18)20(29)26(21)11-13(2)27/h4-10,13,27H,3,11-12H2,1-2H3/t13-/m0/s1