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

Systemtic Name: 2-[[4-[(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]phenyl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[4-[(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]benzoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]phenyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[4-[(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]benzoyl]amino]ethyl-diethyl-ammonium Formula: C22H26BrN4O2S+ MolecularWeight: 490.43644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN4O2S/c1-3-26(4-2)12-11-24-20(28)16-7-5-15(6-8-16)14-27-21(29)18-13-17(23)9-10-19(18)25-22(27)30/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,28)(H,25,30)/p+1