4-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]-N-methyl-N-prop-2-ynyl-butan-1-amine

Systemtic Name: 4-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]-N-methyl-N-prop-2-ynyl-butan-1-amine Openeye Name: 4-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]-N-methyl-N-prop-2-ynyl-butan-1-amine CAS Name: 4-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]-N-methyl-N-prop-2-ynyl-1-butanamine IUPAC Name: 4-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]-N-methyl-N-prop-2-ynylbutan-1-amine Traditional Name: 4-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]butyl-methyl-propargyl-amine Formula: C21H21BrN2OS MolecularWeight: 429.37324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCOC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Br)CC#C

Isomeric SMILES

CN(CCCCOC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Br)CC#C

InChI

InChI=1S/C21H21BrN2OS/c1-3-12-24(2)13-4-5-14-25-18-10-11-19-20(15-18)26-23-21(19)16-6-8-17(22)9-7-16/h1,6-11,15H,4-5,12-14H2,2H3