methyl N-(1H-imidazol-5-yl)-N'-(N'-propan-2-ylcarbamimidoyl)carbamimidothioate

Systemtic Name: methyl N-(1H-imidazol-5-yl)-N'-(N'-propan-2-ylcarbamimidoyl)carbamimidothioate Openeye Name: 1-(1H-imidazol-5-yl)-3-(N'-isopropylcarbamimidoyl)-2-methyl-isothiourea CAS Name: N'-[amino(propan-2-ylimino)methyl]-N-(1H-imidazol-5-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(1H-imidazol-5-yl)-N'-(N'-propan-2-ylcarbamimidoyl)carbamimidothioate Traditional Name: 1-(1H-imidazol-5-yl)-3-(N'-isopropylamidino)-2-methyl-isothiourea Formula: C9H16N6S MolecularWeight: 240.32854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16N6S/c1-6(2)13-8(10)15-9(16-3)14-7-4-11-5-12-7/h4-6H,1-3H3,(H,11,12)(H3,10,13,14,15)