[benzamido(methylsulfanyl)methylidene]-[4-(1H-imidazol-5-yl)butyl]azanium iodide

Systemtic Name: [benzamido(methylsulfanyl)methylidene]-[4-(1H-imidazol-5-yl)butyl]azanium iodide Openeye Name: [benzamido(methylsulfanyl)methylene]-[4-(1H-imidazol-5-yl)butyl]ammonium iodide CAS Name: [benzamido-(methylthio)methylidene]-[4-(1H-imidazol-5-yl)butyl]ammonium iodide IUPAC Name: [benzamido(methylsulfanyl)methylidene]-[4-(1H-imidazol-5-yl)butyl]azanium iodide Traditional Name: [benzamido-(methylthio)methylene]-[4-(1H-imidazol-5-yl)butyl]ammonium iodide Formula: C16H21IN4OS MolecularWeight: 444.33361

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=[NH+]CCCCC1=CN=CN1)NC(=O)C2=CC=CC=C2.[I-]

Isomeric SMILES

CSC(=[NH+]CCCCC1=CN=CN1)NC(=O)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C16H20N4OS.HI/c1-22-16(20-15(21)13-7-3-2-4-8-13)18-10-6-5-9-14-11-17-12-19-14;/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,17,19)(H,18,20,21);1H