N-[1-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]propyl]-2-[3-fluoranyl-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)ethanamide

Systemtic Name: N-[1-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]propyl]-2-[3-fluoranyl-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)ethanamide Openeye Name: N-[1-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]-3-[[5-(2-methylthiazol-4-yl)-2-thienyl]sulfonylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholinoethyl)acetamide CAS Name: N-[1-[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]-3-[[5-(2-methyl-4-thiazolyl)-2-thiophenyl]sulfonylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[2-(4-morpholinyl)ethyl]acetamide IUPAC Name: N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide Traditional Name: 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[1-(4-keto-3-p-phenetyl-quinazolin-2-yl)-3-[[5-(2-methylthiazol-4-yl)-2-thienyl]sulfonylamino]propyl]-N-(2-morpholinoethyl)acetamide Formula: C42H42F4N6O6S3 MolecularWeight: 899.008093

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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=CSC(=N5)C)N(CCN6CCOCC6)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=CSC(=N5)C)N(CCN6CCOCC6)C(=O)CC7=CC(=C(C=C7)C(F)(F)F)F

InChI

InChI=1S/C42H42F4N6O6S3/c1-3-58-30-11-9-29(10-12-30)52-40(49-34-7-5-4-6-31(34)41(52)54)36(16-17-47-61(55,56)39-15-14-37(60-39)35-26-59-27(2)48-35)51(19-18-50-20-22-57-23-21-50)38(53)25-28-8-13-32(33(43)24-28)42(44,45)46/h4-15,24,26,36,47H,3,16-23,25H2,1-2H3