1-[2-(iodanylmethyl)-1-prop-2-ynyl-quinolin-1-ium-6-yl]-3-phenylsulfanyl-urea bromide

Systemtic Name: 1-[2-(iodanylmethyl)-1-prop-2-ynyl-quinolin-1-ium-6-yl]-3-phenylsulfanyl-urea bromide Openeye Name: 1-[2-(iodomethyl)-1-prop-2-ynyl-quinolin-1-ium-6-yl]-3-phenylsulfanyl-urea bromide CAS Name: 1-[2-(iodomethyl)-1-prop-2-ynyl-6-quinolin-1-iumyl]-3-(phenylthio)urea bromide IUPAC Name: 1-[2-(iodomethyl)-1-prop-2-ynylquinolin-1-ium-6-yl]-3-phenylsulfanylurea bromide Traditional Name: 1-[2-(iodomethyl)-1-propargyl-quinolin-1-ium-6-yl]-3-(phenylthio)urea bromide Formula: C20H17BrIN3OS MolecularWeight: 554.24195

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Descriptors Computed from Structure

Canonical SMILES:

C#CC[N+]1=C(C=CC2=C1C=CC(=C2)NC(=O)NSC3=CC=CC=C3)CI.[Br-]

Isomeric SMILES

C#CC[N+]1=C(C=CC2=C1C=CC(=C2)NC(=O)NSC3=CC=CC=C3)CI.[Br-]

InChI

InChI=1S/C20H16IN3OS.BrH/c1-2-12-24-17(14-21)10-8-15-13-16(9-11-19(15)24)22-20(25)23-26-18-6-4-3-5-7-18;/h1,3-11,13H,12,14H2,(H-,22,23,25);1H