methyl N'-[2-(1H-imidazol-5-ylmethylsulfanyl)ethyl]-N-(phenylcarbonyl)carbamimidothioate

Systemtic Name: methyl N'-[2-(1H-imidazol-5-ylmethylsulfanyl)ethyl]-N-(phenylcarbonyl)carbamimidothioate Openeye Name: N-[N-[2-(1H-imidazol-5-ylmethylsulfanyl)ethyl]-C-methylsulfanyl-carbonimidoyl]benzamide CAS Name: N-benzoyl-N'-[2-(1H-imidazol-5-ylmethylthio)ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-benzoyl-N'-[2-(1H-imidazol-5-ylmethylsulfanyl)ethyl]carbamimidothioate Traditional Name: N-[N-[2-(1H-imidazol-5-ylmethylthio)ethyl]-C-(methylthio)carbonimidoyl]benzamide Formula: C15H18N4OS2 MolecularWeight: 334.45962

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCSCC1=CN=CN1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSC(=NCCSCC1=CN=CN1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H18N4OS2/c1-21-15(19-14(20)12-5-3-2-4-6-12)17-7-8-22-10-13-9-16-11-18-13/h2-6,9,11H,7-8,10H2,1H3,(H,16,18)(H,17,19,20)