methyl N'-(1-adamantyl)-N-azanyl-carbamimidothioate hydroiodide

Systemtic Name: methyl N'-(1-adamantyl)-N-azanyl-carbamimidothioate hydroiodide Openeye Name: 3-(1-adamantyl)-1-amino-2-methyl-isothiourea hydroiodide CAS Name: N'-(1-adamantyl)-N-aminocarbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-(1-adamantyl)-N-aminocarbamimidothioate hydroiodide Traditional Name: 3-(1-adamantyl)-1-amino-2-methyl-isothiourea hydroiodide Formula: C12H22IN3S MolecularWeight: 367.29265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC12CC3CC(C1)CC(C3)C2)NN.I

Isomeric SMILES

CSC(=NC12CC3CC(C1)CC(C3)C2)NN.I

InChI

InChI=1S/C12H21N3S.HI/c1-16-11(15-13)14-12-5-8-2-9(6-12)4-10(3-8)7-12;/h8-10H,2-7,13H2,1H3,(H,14,15);1H