1-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-bromanyl-4-methyl-phenoxy)ethanone

Systemtic Name: 1-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-bromanyl-4-methyl-phenoxy)ethanone Openeye Name: 1-[3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(2-bromo-4-methyl-phenoxy)ethanone CAS Name: 1-[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(2-bromo-4-methylphenoxy)ethanone IUPAC Name: 1-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-bromo-4-methylphenoxy)ethanone Traditional Name: 1-[3-(1,3-benzothiazol-2-yl)piperidino]-2-(2-bromo-4-methyl-phenoxy)ethanone Formula: C21H21BrN2O2S MolecularWeight: 445.37264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)Br

InChI

InChI=1S/C21H21BrN2O2S/c1-14-8-9-18(16(22)11-14)26-13-20(25)24-10-4-5-15(12-24)21-23-17-6-2-3-7-19(17)27-21/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3