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

Systemtic Name: [(1S)-2-[2-[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[2-[3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[2-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[2-[[3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C25H27N4O3S+ MolecularWeight: 463.57188

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4O3S/c1-28(2)22(18-9-4-3-5-10-18)15-26-23(30)17-33-25-27-21-13-7-6-12-20(21)24(31)29(25)16-19-11-8-14-32-19/h3-14,22H,15-17H2,1-2H3,(H,26,30)/p+1/t22-/m1/s1