N-[1-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]-3-[[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylamino]propyl]-2-[3-fluoranyl-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: N-[1-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]-3-[[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylamino]propyl]-2-[3-fluoranyl-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: N-[1-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]-3-[(5-isoxazol-3-yl-2-thienyl)sulfonylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(3-pyridylmethyl)acetamide CAS Name: N-[1-[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]-3-[[5-(3-isoxazolyl)-2-thiophenyl]sulfonylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(3-pyridinylmethyl)acetamide IUPAC Name: N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[3-[(5-isoxazol-3-yl-2-thienyl)sulfonylamino]-1-(4-keto-3-p-phenetyl-quinazolin-2-yl)propyl]-N-(3-pyridylmethyl)acetamide Formula: C41H34F4N6O6S2 MolecularWeight: 846.868873

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(CCNS(=O)(=O)C4=CC=C(S4)C5=NOC=C5)N(CC6=CN=CC=C6)C(=O)CC7=CC(=C(C=C7)C(F)(F)F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(CCNS(=O)(=O)C4=CC=C(S4)C5=NOC=C5)N(CC6=CN=CC=C6)C(=O)CC7=CC(=C(C=C7)C(F)(F)F)F

InChI

InChI=1S/C41H34F4N6O6S2/c1-2-56-29-12-10-28(11-13-29)51-39(48-33-8-4-3-7-30(33)40(51)53)35(17-20-47-59(54,55)38-16-15-36(58-38)34-18-21-57-49-34)50(25-27-6-5-19-46-24-27)37(52)23-26-9-14-31(32(42)22-26)41(43,44)45/h3-16,18-19,21-22,24,35,47H,2,17,20,23,25H2,1H3