3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]propanamide

Systemtic Name: 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]propanamide Openeye Name: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-[(4S)-6-fluorothiochroman-4-yl]propanamide CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]propanamide IUPAC Name: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)-N-[(4S)-6-fluorothiochroman-4-yl]propionamide Formula: C20H17BrFN3O2S MolecularWeight: 462.335283

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C([C@H]1NC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br)C=C(C=C2)F

InChI

InChI=1S/C20H17BrFN3O2S/c21-12-1-3-16-15(9-12)20(27)25(11-23-16)7-5-19(26)24-17-6-8-28-18-4-2-13(22)10-14(17)18/h1-4,9-11,17H,5-8H2,(H,24,26)/t17-/m0/s1