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

Systemtic Name: 2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-phenethyl-acetamide Formula: C25H22FN3O2S MolecularWeight: 447.524483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=CC=C4)F

InChI

InChI=1S/C25H22FN3O2S/c1-17-11-12-19(15-21(17)26)29-24(31)20-9-5-6-10-22(20)28-25(29)32-16-23(30)27-14-13-18-7-3-2-4-8-18/h2-12,15H,13-14,16H2,1H3,(H,27,30)