2-[[4-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-2-methyl-but-3-yn-2-yl]-ethyl-amino]ethanol

Systemtic Name: 2-[[4-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-2-methyl-but-3-yn-2-yl]-ethyl-amino]ethanol Openeye Name: 2-[[3-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-1,1-dimethyl-prop-2-ynyl]-ethyl-amino]ethanol CAS Name: 2-[[4-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-2-methylbut-3-yn-2-yl]-ethylamino]ethanol IUPAC Name: 2-[[4-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-2-methylbut-3-yn-2-yl]-ethylamino]ethanol Traditional Name: 2-[[3-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-1,1-dimethyl-prop-2-ynyl]-ethyl-amino]ethanol Formula: C22H23BrN2OS MolecularWeight: 443.39982

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCO)C(C)(C)C#CC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCN(CCO)C(C)(C)C#CC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H23BrN2OS/c1-4-25(13-14-26)22(2,3)12-11-16-5-10-19-20(15-16)27-24-21(19)17-6-8-18(23)9-7-17/h5-10,15,26H,4,13-14H2,1-3H3