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

Systemtic Name: methyl N'-(N'-hexadecylcarbamimidoyl)-N-(1H-imidazol-5-yl)carbamimidothioate Openeye Name: 3-(N'-hexadecylcarbamimidoyl)-1-(1H-imidazol-5-yl)-2-methyl-isothiourea CAS Name: N'-[amino(hexadecylimino)methyl]-N-(1H-imidazol-5-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(N'-hexadecylcarbamimidoyl)-N-(1H-imidazol-5-yl)carbamimidothioate Traditional Name: 3-(N'-cetylamidino)-1-(1H-imidazol-5-yl)-2-methyl-isothiourea Formula: C22H42N6S MolecularWeight: 422.67408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42N6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-21(23)28-22(29-2)27-20-18-24-19-26-20/h18-19H,3-17H2,1-2H3,(H,24,26)(H3,23,25,27,28)