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

Systemtic Name: methyl N'-[4-(1H-imidazol-5-yl)butyl]carbamimidothioate Openeye Name: 3-[4-(1H-imidazol-5-yl)butyl]-2-methyl-isothiourea CAS Name: N'-[4-(1H-imidazol-5-yl)butyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[4-(1H-imidazol-5-yl)butyl]carbamimidothioate Traditional Name: 3-[4-(1H-imidazol-5-yl)butyl]-2-methyl-isothiourea Formula: C9H16N4S MolecularWeight: 212.31514

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCCCC1=CN=CN1)N

Isomeric SMILES

CSC(=NCCCCC1=CN=CN1)N

InChI

InChI=1S/C9H16N4S/c1-14-9(10)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H2,10,12)(H,11,13)