methyl N'-[4-(1H-imidazol-5-yl)butyl]-N-(phenylcarbonyl)carbamimidothioate

Systemtic Name: methyl N'-[4-(1H-imidazol-5-yl)butyl]-N-(phenylcarbonyl)carbamimidothioate Openeye Name: N-[N-[4-(1H-imidazol-5-yl)butyl]-C-methylsulfanyl-carbonimidoyl]benzamide CAS Name: N-benzoyl-N'-[4-(1H-imidazol-5-yl)butyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-benzoyl-N'-[4-(1H-imidazol-5-yl)butyl]carbamimidothioate Traditional Name: N-[N-[4-(1H-imidazol-5-yl)butyl]-C-(methylthio)carbonimidoyl]benzamide Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCCCC1=CN=CN1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSC(=NCCCCC1=CN=CN1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H20N4OS/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)