2-[2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-4-oxo-quinazolin-3-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-[[3-(dimethylsulfamoyl)phenyl]methylthio]-4-oxo-3-quinazolinyl]ethyl-diethylammonium IUPAC Name: 2-[2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl-diethylazanium Traditional Name: 2-[2-[[3-(dimethylsulfamoyl)benzyl]thio]-4-keto-quinazolin-3-yl]ethyl-diethyl-ammonium Formula: C23H31N4O3S2+ MolecularWeight: 475.64724

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=CC=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=CC=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C23H30N4O3S2/c1-5-26(6-2)14-15-27-22(28)20-12-7-8-13-21(20)24-23(27)31-17-18-10-9-11-19(16-18)32(29,30)25(3)4/h7-13,16H,5-6,14-15,17H2,1-4H3/p+1