1-[[1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)pyridin-1-ium-3-yl]carbonylamino]-3-phenyl-urea dibromide

Systemtic Name: 1-[[1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)pyridin-1-ium-3-yl]carbonylamino]-3-phenyl-urea dibromide Openeye Name: 1-[[1-[2-oxo-2-(2-thienyl)ethyl]pyridin-1-ium-3-carbonyl]amino]-3-phenyl-urea dibromide CAS Name: 1-[[oxo-[1-(2-oxo-2-thiophen-2-ylethyl)-3-pyridin-1-iumyl]methyl]amino]-3-phenylurea dibromide IUPAC Name: 1-[[1-(2-oxo-2-thiophen-2-ylethyl)pyridin-1-ium-3-carbonyl]amino]-3-phenylurea dibromide Traditional Name: 1-[[1-[2-keto-2-(2-thienyl)ethyl]pyridin-1-ium-3-carbonyl]amino]-3-phenyl-urea dibromide Formula: C19H17Br2N4O3S- MolecularWeight: 541.23628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NNC(=O)C2=C[N+](=CC=C2)CC(=O)C3=CC=CS3.[Br-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NNC(=O)C2=C[N+](=CC=C2)CC(=O)C3=CC=CS3.[Br-].[Br-]

InChI

InChI=1S/C19H16N4O3S.2BrH/c24-16(17-9-5-11-27-17)13-23-10-4-6-14(12-23)18(25)21-22-19(26)20-15-7-2-1-3-8-15;;/h1-12H,13H2,(H2-,20,21,22,25,26);2*1H/p-1