butyl 4-[2-(6-fluoranyl-2-phenyl-quinazolin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(6-fluoranyl-2-phenyl-quinazolin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-(6-fluoro-2-phenyl-quinazolin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(6-fluoro-2-phenyl-4-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(6-fluoro-2-phenyl-quinazolin-4-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C27H24FN3O3S MolecularWeight: 489.561163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C27H24FN3O3S/c1-2-3-15-34-27(33)19-9-12-21(13-10-19)29-24(32)17-35-26-22-16-20(28)11-14-23(22)30-25(31-26)18-7-5-4-6-8-18/h4-14,16H,2-3,15,17H2,1H3,(H,29,32)