N-(butylcarbamoyl)-2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(butylcarbamoyl)-2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(butylcarbamoyl)-2-[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-[butylamino(oxo)methyl]-2-[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(butylcarbamoyl)-2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(butylcarbamoyl)-2-[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C23H25FN4O3S MolecularWeight: 456.533003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)C)F

Isomeric SMILES

CCCCNC(=O)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)C)F

InChI

InChI=1S/C23H25FN4O3S/c1-4-5-12-25-22(31)27-20(29)15(3)32-23-26-19-9-7-6-8-17(19)21(30)28(23)16-11-10-14(2)18(24)13-16/h6-11,13,15H,4-5,12H2,1-3H3,(H2,25,27,29,31)