N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanamide

Systemtic Name: N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanamide Openeye Name: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-[2-(difluoromethylsulfanyl)phenyl]propanamide CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-[2-(difluoromethylthio)phenyl]propanamide IUPAC Name: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(difluoromethylsulfanyl)phenyl]propanamide Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)-N-[2-(difluoromethylthio)phenyl]propionamide Formula: C18H14BrF2N3O2S MolecularWeight: 454.288466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br)SC(F)F

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br)SC(F)F

InChI

InChI=1S/C18H14BrF2N3O2S/c19-11-5-6-13-12(9-11)17(26)24(10-22-13)8-7-16(25)23-14-3-1-2-4-15(14)27-18(20)21/h1-6,9-10,18H,7-8H2,(H,23,25)