4-oxidanyl-7-[2-[6-(phenethylamino)hexylamino]ethyl]-3H-1,3-benzothiazol-2-one dihydrobromide

Systemtic Name: 4-oxidanyl-7-[2-[6-(phenethylamino)hexylamino]ethyl]-3H-1,3-benzothiazol-2-one dihydrobromide Openeye Name: 4-hydroxy-7-[2-[6-(phenethylamino)hexylamino]ethyl]-3H-1,3-benzothiazol-2-one dihydrobromide CAS Name: 4-hydroxy-7-[2-[6-(phenethylamino)hexylamino]ethyl]-3H-1,3-benzothiazol-2-one dihydrobromide IUPAC Name: 4-hydroxy-7-[2-[6-(phenethylamino)hexylamino]ethyl]-3H-1,3-benzothiazol-2-one dihydrobromide Traditional Name: 4-hydroxy-7-[2-[6-(phenethylamino)hexylamino]ethyl]-3H-1,3-benzothiazol-2-one dihydrobromide Formula: C23H33Br2N3O2S MolecularWeight: 575.40002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCCCCCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3.Br.Br

Isomeric SMILES

C1=CC=C(C=C1)CCNCCCCCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3.Br.Br

InChI

InChI=1S/C23H31N3O2S.2BrH/c27-20-11-10-19(22-21(20)26-23(28)29-22)13-17-25-15-7-2-1-6-14-24-16-12-18-8-4-3-5-9-18;;/h3-5,8-11,24-25,27H,1-2,6-7,12-17H2,(H,26,28);2*1H