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

Systemtic Name: methyl N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-N-(phenylcarbonyl)carbamimidothioate Openeye Name: N-[N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-C-methylsulfanyl-carbonimidoyl]benzamide CAS Name: N-benzoyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-benzoyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidothioate Traditional Name: N-[N-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-C-(methylthio)carbonimidoyl]benzamide Formula: C16H20N4OS2 MolecularWeight: 348.4862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCN=C(NC(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CC1=C(N=CN1)CSCCN=C(NC(=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C16H20N4OS2/c1-12-14(19-11-18-12)10-23-9-8-17-16(22-2)20-15(21)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3,(H,18,19)(H,17,20,21)