2-(1-adamantylamino)ethyl carbamimidothioate

Systemtic Name: 2-(1-adamantylamino)ethyl carbamimidothioate Openeye Name: 2-[2-(1-adamantylamino)ethyl]isothiourea CAS Name: carbamimidothioic acid 2-(1-adamantylamino)ethyl ester IUPAC Name: 2-(1-adamantylamino)ethyl carbamimidothioate Traditional Name: 2-[2-(1-adamantylamino)ethyl]isothiourea Formula: C13H23N3S MolecularWeight: 253.40682

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NCCSC(=N)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NCCSC(=N)N

InChI

InChI=1S/C13H23N3S/c14-12(15)17-2-1-16-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11,16H,1-8H2,(H3,14,15)