methyl N'-(1-adamantyl)-N-cyano-carbamimidothioate

Systemtic Name: methyl N'-(1-adamantyl)-N-cyano-carbamimidothioate Openeye Name: 3-(1-adamantyl)-1-cyano-2-methyl-isothiourea CAS Name: N'-(1-adamantyl)-N-cyanocarbamimidothioic acid methyl ester IUPAC Name: methyl N'-(1-adamantyl)-N-cyanocarbamimidothioate Traditional Name: 3-(1-adamantyl)-1-cyano-2-methyl-isothiourea Formula: C13H19N3S MolecularWeight: 249.37506

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC12CC3CC(C1)CC(C3)C2)NC#N

Isomeric SMILES

CSC(=NC12CC3CC(C1)CC(C3)C2)NC#N

InChI

InChI=1S/C13H19N3S/c1-17-12(15-8-14)16-13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11H,2-7H2,1H3,(H,15,16)