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

Systemtic Name: 4-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-N-(2-methoxyethyl)-N-methyl-but-3-yn-1-amine Openeye Name: 4-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-N-(2-methoxyethyl)-N-methyl-but-3-yn-1-amine CAS Name: 4-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-N-(2-methoxyethyl)-N-methyl-3-butyn-1-amine IUPAC Name: 4-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-N-(2-methoxyethyl)-N-methylbut-3-yn-1-amine Traditional Name: 4-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]but-3-ynyl-(2-methoxyethyl)-methyl-amine Formula: C21H21BrN2OS MolecularWeight: 429.37324

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#CC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Br)CCOC

Isomeric SMILES

CN(CCC#CC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Br)CCOC

InChI

InChI=1S/C21H21BrN2OS/c1-24(13-14-25-2)12-4-3-5-16-6-11-19-20(15-16)26-23-21(19)17-7-9-18(22)10-8-17/h6-11,15H,4,12-14H2,1-2H3