2-(5-quinolin-2-yloxypentylamino)ethanethiol; sulfuric acid

Systemtic Name: 2-(5-quinolin-2-yloxypentylamino)ethanethiol; sulfuric acid Openeye Name: 2-[5-(2-quinolyloxy)pentylamino]ethanethiol; sulfuric acid CAS Name: 2-[5-(2-quinolinyloxy)pentylamino]ethanethiol; sulfuric acid IUPAC Name: 2-(5-quinolin-2-yloxypentylamino)ethanethiol; sulfuric acid Traditional Name: 2-[5-(2-quinolyloxy)pentylamino]ethanethiol; sulfuric acid Formula: C16H24N2O5S2 MolecularWeight: 388.50216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)OCCCCCNCCS.OS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)OCCCCCNCCS.OS(=O)(=O)O

InChI

InChI=1S/C16H22N2OS.H2O4S/c20-13-11-17-10-4-1-5-12-19-16-9-8-14-6-2-3-7-15(14)18-16;1-5(2,3)4/h2-3,6-9,17,20H,1,4-5,10-13H2;(H2,1,2,3,4)