3-[(3-bromophenyl)methyl]-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[(3-bromophenyl)methyl]-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(3-bromophenyl)methyl]-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(3-bromophenyl)methyl]-N-[(1-ethyl-2-pyrrolidin-1-iumyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(3-bromophenyl)methyl]-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-bromobenzyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H26BrN4O2S+ MolecularWeight: 502.44714

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC(=CC=C4)Br

Isomeric SMILES

CC[NH+]1CCCC1CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C23H25BrN4O2S/c1-2-27-10-4-7-18(27)13-25-21(29)16-8-9-19-20(12-16)26-23(31)28(22(19)30)14-15-5-3-6-17(24)11-15/h3,5-6,8-9,11-12,18H,2,4,7,10,13-14H2,1H3,(H,25,29)(H,26,31)/p+1