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

Systemtic Name: 3-[[4-[(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]phenyl]carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[4-[(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]benzoyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[[4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]phenyl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[4-[(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]benzoyl]amino]propyl]-methyl-ammonium Formula: C27H28BrN4O2S+ MolecularWeight: 552.50582

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)CC4=CC=CC=C4

InChI

InChI=1S/C27H27BrN4O2S/c1-31(17-19-6-3-2-4-7-19)15-5-14-29-25(33)21-10-8-20(9-11-21)18-32-26(34)23-16-22(28)12-13-24(23)30-27(32)35/h2-4,6-13,16H,5,14-15,17-18H2,1H3,(H,29,33)(H,30,35)/p+1