4-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-N-ethyl-N-(2-methoxyethyl)butan-1-amine

Systemtic Name: 4-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-N-ethyl-N-(2-methoxyethyl)butan-1-amine Openeye Name: 4-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-N-ethyl-N-(2-methoxyethyl)butan-1-amine CAS Name: 4-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-N-ethyl-N-(2-methoxyethyl)-1-butanamine IUPAC Name: 4-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]-N-ethyl-N-(2-methoxyethyl)butan-1-amine Traditional Name: 4-[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]butyl-ethyl-(2-methoxyethyl)amine Formula: C22H27BrN2OS MolecularWeight: 447.43158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Br)CCOC

Isomeric SMILES

CCN(CCCCC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Br)CCOC

InChI

InChI=1S/C22H27BrN2OS/c1-3-25(14-15-26-2)13-5-4-6-17-7-12-20-21(16-17)27-24-22(20)18-8-10-19(23)11-9-18/h7-12,16H,3-6,13-15H2,1-2H3