N-(2,3-dimethylphenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[[3-(4-fluorobenzyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C25H22FN3O2S MolecularWeight: 447.524483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F)C

InChI

InChI=1S/C25H22FN3O2S/c1-16-6-5-9-21(17(16)2)27-23(30)15-32-25-28-22-8-4-3-7-20(22)24(31)29(25)14-18-10-12-19(26)13-11-18/h3-13H,14-15H2,1-2H3,(H,27,30)