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

Systemtic Name: 2-[[4-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]piperazin-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-[(4-bromo-2,5-dimethoxy-phenyl)methyl]piperazin-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-[(4-bromo-2,5-dimethoxyphenyl)methyl]-1-piperazinyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(4-bromo-2,5-dimethoxy-benzyl)piperazino]methyl]-1,3-benzothiazole Formula: C21H24BrN3O2S MolecularWeight: 462.40316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CN2CCN(CC2)CC3=NC4=CC=CC=C4S3)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1CN2CCN(CC2)CC3=NC4=CC=CC=C4S3)OC)Br

InChI

InChI=1S/C21H24BrN3O2S/c1-26-18-12-16(22)19(27-2)11-15(18)13-24-7-9-25(10-8-24)14-21-23-17-5-3-4-6-20(17)28-21/h3-6,11-12H,7-10,13-14H2,1-2H3