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

Systemtic Name: methyl N-[4-(1H-imidazol-5-yl)butyl]-N'-methyl-carbamimidothioate Openeye Name: 1-[4-(1H-imidazol-5-yl)butyl]-2,3-dimethyl-isothiourea CAS Name: N-[4-(1H-imidazol-5-yl)butyl]-N'-methylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[4-(1H-imidazol-5-yl)butyl]-N'-methylcarbamimidothioate Traditional Name: 1-[4-(1H-imidazol-5-yl)butyl]-2,3-dimethyl-isothiourea Formula: C10H18N4S MolecularWeight: 226.34172

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NCCCCC1=CN=CN1)SC

Isomeric SMILES

CN=C(NCCCCC1=CN=CN1)SC

InChI

InChI=1S/C10H18N4S/c1-11-10(15-2)13-6-4-3-5-9-7-12-8-14-9/h7-8H,3-6H2,1-2H3,(H,11,13)(H,12,14)