4-[(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 4-[(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Openeye Name: 4-[(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide CAS Name: 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzamide IUPAC Name: 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Traditional Name: 4-[(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Formula: C23H26BrN4O2S+ MolecularWeight: 502.44714

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

InChI

InChI=1S/C23H25BrN4O2S/c24-18-8-9-20-19(14-18)22(30)28(23(31)26-20)15-16-4-6-17(7-5-16)21(29)25-10-3-13-27-11-1-2-12-27/h4-9,14H,1-3,10-13,15H2,(H,25,29)(H,26,31)/p+1