methyl N'-[2-[(4-bromanyl-1H-imidazol-5-yl)methylsulfanyl]ethyl]-N-(phenylcarbonyl)carbamimidothioate

Systemtic Name: methyl N'-[2-[(4-bromanyl-1H-imidazol-5-yl)methylsulfanyl]ethyl]-N-(phenylcarbonyl)carbamimidothioate Openeye Name: N-[N-[2-[(4-bromo-1H-imidazol-5-yl)methylsulfanyl]ethyl]-C-methylsulfanyl-carbonimidoyl]benzamide CAS Name: N-benzoyl-N'-[2-[(4-bromo-1H-imidazol-5-yl)methylthio]ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-benzoyl-N'-[2-[(4-bromo-1H-imidazol-5-yl)methylsulfanyl]ethyl]carbamimidothioate Traditional Name: N-[N-[2-[(4-bromo-1H-imidazol-5-yl)methylthio]ethyl]-C-(methylthio)carbonimidoyl]benzamide Formula: C15H17BrN4OS2 MolecularWeight: 413.35568

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCSCC1=C(N=CN1)Br)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSC(=NCCSCC1=C(N=CN1)Br)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H17BrN4OS2/c1-22-15(20-14(21)11-5-3-2-4-6-11)17-7-8-23-9-12-13(16)19-10-18-12/h2-6,10H,7-9H2,1H3,(H,18,19)(H,17,20,21)