N-[4-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]butyl]-2-methyl-but-3-yn-2-amine

Systemtic Name: N-[4-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]butyl]-2-methyl-but-3-yn-2-amine Openeye Name: N-[4-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]butyl]-2-methyl-but-3-yn-2-amine CAS Name: N-[4-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]butyl]-2-methyl-3-butyn-2-amine IUPAC Name: N-[4-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]butyl]-2-methylbut-3-yn-2-amine Traditional Name: 4-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]butyl-(1,1-dimethylprop-2-ynyl)amine Formula: C22H23BrN2OS MolecularWeight: 443.39982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)NCCCCOC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C#C)NCCCCOC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H23BrN2OS/c1-4-22(2,3)24-13-5-6-14-26-18-11-12-19-20(15-18)27-25-21(19)16-7-9-17(23)10-8-16/h1,7-12,15,24H,5-6,13-14H2,2-3H3