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

Systemtic Name: methyl N-cyano-N'-[4-(1H-imidazol-5-yl)butyl]carbamimidothioate Openeye Name: 1-cyano-3-[4-(1H-imidazol-5-yl)butyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[4-(1H-imidazol-5-yl)butyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[4-(1H-imidazol-5-yl)butyl]carbamimidothioate Traditional Name: 1-cyano-3-[4-(1H-imidazol-5-yl)butyl]-2-methyl-isothiourea Formula: C10H15N5S MolecularWeight: 237.3246

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCCCC1=CN=CN1)NC#N

Isomeric SMILES

CSC(=NCCCCC1=CN=CN1)NC#N

InChI

InChI=1S/C10H15N5S/c1-16-10(14-7-11)13-5-3-2-4-9-6-12-8-15-9/h6,8H,2-5H2,1H3,(H,12,15)(H,13,14)