(3,5-dimethyl-1-adamantyl) carbamimidothioate

Systemtic Name: (3,5-dimethyl-1-adamantyl) carbamimidothioate Openeye Name: 2-(3,5-dimethyl-1-adamantyl)isothiourea CAS Name: carbamimidothioic acid (3,5-dimethyl-1-adamantyl) ester IUPAC Name: (3,5-dimethyl-1-adamantyl) carbamimidothioate Traditional Name: 2-(3,5-dimethyl-1-adamantyl)isothiourea Formula: C13H22N2S MolecularWeight: 238.39218

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)SC(=N)N)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)SC(=N)N)C

InChI

InChI=1S/C13H22N2S/c1-11-3-9-4-12(2,6-11)8-13(5-9,7-11)16-10(14)15/h9H,3-8H2,1-2H3,(H3,14,15)