S-[2-[2-(3-bicyclo[2.2.1]heptanylamino)ethylamino]ethyl] benzenecarbothioate; sulfuric acid

Systemtic Name: S-[2-[2-(3-bicyclo[2.2.1]heptanylamino)ethylamino]ethyl] benzenecarbothioate; sulfuric acid Openeye Name: S-[2-[2-(norbornan-2-ylamino)ethylamino]ethyl] benzenecarbothioate; sulfuric acid CAS Name: benzenecarbothioic acid S-[2-[2-(3-bicyclo[2.2.1]heptanylamino)ethylamino]ethyl] ester; sulfuric acid IUPAC Name: S-[2-[2-(3-bicyclo[2.2.1]heptanylamino)ethylamino]ethyl] benzenecarbothioate; sulfuric acid Traditional Name: sulfuric acid; thiobenzoic acid S-[2-[2-(2-norbornylamino)ethylamino]ethyl] ester Formula: C18H28N2O5S2 MolecularWeight: 416.55532

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC1CC2NCCNCCSC(=O)C3=CC=CC=C3.OS(=O)(=O)O

Isomeric SMILES

C1CC2CC1CC2NCCNCCSC(=O)C3=CC=CC=C3.OS(=O)(=O)O

InChI

InChI=1S/C18H26N2OS.H2O4S/c21-18(15-4-2-1-3-5-15)22-11-10-19-8-9-20-17-13-14-6-7-16(17)12-14;1-5(2,3)4/h1-5,14,16-17,19-20H,6-13H2;(H2,1,2,3,4)