1-azanyl-1-[1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)pyridin-1-ium-3-yl]carbonyl-3-phenyl-urea bromide

Systemtic Name: 1-azanyl-1-[1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)pyridin-1-ium-3-yl]carbonyl-3-phenyl-urea bromide Openeye Name: 1-amino-1-[1-[2-oxo-2-(2-thienyl)ethyl]pyridin-1-ium-3-carbonyl]-3-phenyl-urea bromide CAS Name: 1-amino-1-[oxo-[1-(2-oxo-2-thiophen-2-ylethyl)-3-pyridin-1-iumyl]methyl]-3-phenylurea bromide IUPAC Name: 1-amino-1-[1-(2-oxo-2-thiophen-2-ylethyl)pyridin-1-ium-3-carbonyl]-3-phenylurea bromide Traditional Name: 1-amino-1-[1-[2-keto-2-(2-thienyl)ethyl]pyridin-1-ium-3-carbonyl]-3-phenyl-urea bromide Formula: C19H17BrN4O3S MolecularWeight: 461.33228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O3S.BrH/c20-23(19(26)21-15-7-2-1-3-8-15)18(25)14-6-4-10-22(12-14)13-16(24)17-9-5-11-27-17;/h1-12H,13,20H2;1H