2-(4-pyridin-2-ylbutylamino)ethyl carbamimidothioate trihydrobromide

Systemtic Name: 2-(4-pyridin-2-ylbutylamino)ethyl carbamimidothioate trihydrobromide Openeye Name: 2-[2-[4-(2-pyridyl)butylamino]ethyl]isothiourea trihydrobromide CAS Name: carbamimidothioic acid 2-[4-(2-pyridinyl)butylamino]ethyl ester trihydrobromide IUPAC Name: 2-(4-pyridin-2-ylbutylamino)ethyl carbamimidothioate trihydrobromide Traditional Name: 2-[2-[4-(2-pyridyl)butylamino]ethyl]isothiourea trihydrobromide Formula: C12H23Br3N4S MolecularWeight: 495.11482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCCCNCCSC(=N)N.Br.Br.Br

Isomeric SMILES

C1=CC=NC(=C1)CCCCNCCSC(=N)N.Br.Br.Br

InChI

InChI=1S/C12H20N4S.3BrH/c13-12(14)17-10-9-15-7-3-1-5-11-6-2-4-8-16-11;;;/h2,4,6,8,15H,1,3,5,7,9-10H2,(H3,13,14);3*1H