methyl N'-(N'-butylcarbamimidoyl)-N-(1H-imidazol-5-yl)carbamimidothioate

Systemtic Name: methyl N'-(N'-butylcarbamimidoyl)-N-(1H-imidazol-5-yl)carbamimidothioate Openeye Name: 3-(N'-butylcarbamimidoyl)-1-(1H-imidazol-5-yl)-2-methyl-isothiourea CAS Name: N'-[amino(butylimino)methyl]-N-(1H-imidazol-5-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(N'-butylcarbamimidoyl)-N-(1H-imidazol-5-yl)carbamimidothioate Traditional Name: 3-(N'-butylamidino)-1-(1H-imidazol-5-yl)-2-methyl-isothiourea Formula: C10H18N6S MolecularWeight: 254.35512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(N)N=C(NC1=CN=CN1)SC

Isomeric SMILES

CCCCN=C(N)/N=C(/NC1=CN=CN1)\SC

InChI

InChI=1S/C10H18N6S/c1-3-4-5-13-9(11)16-10(17-2)15-8-6-12-7-14-8/h6-7H,3-5H2,1-2H3,(H,12,14)(H3,11,13,15,16)