[(1S)-2-[2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[2-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[2-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[2-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C26H26FN4O2S+ MolecularWeight: 477.573643

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C26H25FN4O2S/c1-30(2)23(18-8-4-3-5-9-18)16-28-24(32)17-34-26-29-22-11-7-6-10-21(22)25(33)31(26)20-14-12-19(27)13-15-20/h3-15,23H,16-17H2,1-2H3,(H,28,32)/p+1/t23-/m1/s1