5-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-N-(2-methoxyethyl)-N-methyl-pent-4-yn-1-amine

Systemtic Name: 5-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-N-(2-methoxyethyl)-N-methyl-pent-4-yn-1-amine Openeye Name: 5-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-N-(2-methoxyethyl)-N-methyl-pent-4-yn-1-amine CAS Name: 5-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-N-(2-methoxyethyl)-N-methyl-4-pentyn-1-amine IUPAC Name: 5-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-N-(2-methoxyethyl)-N-methylpent-4-yn-1-amine Traditional Name: 5-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]pent-4-ynyl-(2-methoxyethyl)-methyl-amine Formula: C22H23BrN2OS MolecularWeight: 443.39982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2OS/c1-25(14-15-26-2)13-5-3-4-6-17-7-12-20-21(16-17)27-24-22(20)18-8-10-19(23)11-9-18/h7-12,16H,3,5,13-15H2,1-2H3