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

Systemtic Name: methyl N'-(1-adamantyl)-N-azanyl-carbamimidothioate iodide Openeye Name: 3-(1-adamantyl)-1-amino-2-methyl-isothiourea iodide CAS Name: N'-(1-adamantyl)-N-aminocarbamimidothioic acid methyl ester iodide IUPAC Name: methyl N'-(1-adamantyl)-N-aminocarbamimidothioate iodide Traditional Name: 3-(1-adamantyl)-1-amino-2-methyl-isothiourea iodide Formula: C12H21IN3S- MolecularWeight: 366.28471

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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/p-1