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

Systemtic Name: 2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-methyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-methyl-acetamide CAS Name: 2-[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-methyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide Traditional Name: N-benzyl-2-[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-methyl-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)N(C)CC4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(C)CC4=CC=CC=C4)F

InChI

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