N-(2,6-diethylphenyl)-2-[2-(4-fluorophenyl)-8-methyl-quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[2-(4-fluorophenyl)-8-methyl-quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[2-(4-fluorophenyl)-8-methyl-quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(2,6-diethylphenyl)-2-[[2-(4-fluorophenyl)-8-methyl-4-quinazolinyl]thio]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[2-(4-fluorophenyl)-8-methylquinazolin-4-yl]sulfanylacetamide Traditional Name: N-(2,6-diethylphenyl)-2-[[2-(4-fluorophenyl)-8-methyl-quinazolin-4-yl]thio]acetamide Formula: C27H26FN3OS MolecularWeight: 459.578243

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC(=NC3=C2C=CC=C3C)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC(=NC3=C2C=CC=C3C)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H26FN3OS/c1-4-18-9-7-10-19(5-2)25(18)29-23(32)16-33-27-22-11-6-8-17(3)24(22)30-26(31-27)20-12-14-21(28)15-13-20/h6-15H,4-5,16H2,1-3H3,(H,29,32)