N-(4-fluorophenyl)-2-(6-morpholin-4-yl-4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-(6-morpholin-4-yl-4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-fluorophenyl)-2-(6-morpholino-4-oxo-3-phenethyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(4-fluorophenyl)-2-[[6-(4-morpholinyl)-4-oxo-3-phenethyl-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-fluorophenyl)-2-(6-morpholin-4-yl-4-oxo-3-phenethylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(4-fluorophenyl)-2-[(4-keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]acetamide Formula: C28H27FN4O3S MolecularWeight: 518.602383

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CCC4=CC=CC=C4)SCC(=O)NC5=CC=C(C=C5)F

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CCC4=CC=CC=C4)SCC(=O)NC5=CC=C(C=C5)F

InChI

InChI=1S/C28H27FN4O3S/c29-21-6-8-22(9-7-21)30-26(34)19-37-28-31-25-11-10-23(32-14-16-36-17-15-32)18-24(25)27(35)33(28)13-12-20-4-2-1-3-5-20/h1-11,18H,12-17,19H2,(H,30,34)