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

Systemtic Name: 3-[[4-[(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]phenyl]carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[[4-[(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]benzoyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]phenyl]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoyl]amino]propyl-diethylazanium Traditional Name: 3-[[4-[(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]benzoyl]amino]propyl-diethyl-ammonium Formula: C23H28BrN4O2S+ MolecularWeight: 504.46302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrN4O2S/c1-3-27(4-2)13-5-12-25-21(29)17-8-6-16(7-9-17)15-28-22(30)19-14-18(24)10-11-20(19)26-23(28)31/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,25,29)(H,26,31)/p+1