2-[[4-[(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]phenyl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-[(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-[(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-[(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]benzoyl]amino]ethyl-dimethyl-ammonium Formula: C20H22BrN4O2S+ MolecularWeight: 462.38328

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

InChI

InChI=1S/C20H21BrN4O2S/c1-24(2)10-9-22-18(26)14-5-3-13(4-6-14)12-25-19(27)16-11-15(21)7-8-17(16)23-20(25)28/h3-8,11H,9-10,12H2,1-2H3,(H,22,26)(H,23,28)/p+1