2-[(2-bromanyl-4,5-dimethoxy-phenyl)-piperazin-1-yl-methyl]-1,3-benzothiazole

Systemtic Name: 2-[(2-bromanyl-4,5-dimethoxy-phenyl)-piperazin-1-yl-methyl]-1,3-benzothiazole Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)-piperazin-1-yl-methyl]-1,3-benzothiazole CAS Name: 2-[(2-bromo-4,5-dimethoxyphenyl)-(1-piperazinyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[(2-bromo-4,5-dimethoxyphenyl)-piperazin-1-ylmethyl]-1,3-benzothiazole Traditional Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)-piperazino-methyl]-1,3-benzothiazole Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=NC3=CC=CC=C3S2)N4CCNCC4)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=NC3=CC=CC=C3S2)N4CCNCC4)Br)OC

InChI

InChI=1S/C20H22BrN3O2S/c1-25-16-11-13(14(21)12-17(16)26-2)19(24-9-7-22-8-10-24)20-23-15-5-3-4-6-18(15)27-20/h3-6,11-12,19,22H,7-10H2,1-2H3