1-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-chloranylphenoxy)-2-methyl-propan-1-one

Systemtic Name: 1-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-chloranylphenoxy)-2-methyl-propan-1-one Openeye Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-chlorophenoxy)-2-methyl-propan-1-one CAS Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(4-chlorophenoxy)-2-methyl-1-propanone IUPAC Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-chlorophenoxy)-2-methylpropan-1-one Traditional Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazino]-2-(4-chlorophenoxy)-2-methyl-propan-1-one Formula: C21H21BrClN3O2S MolecularWeight: 494.83234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)Br)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)Br)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21BrClN3O2S/c1-21(2,28-16-6-4-15(23)5-7-16)19(27)25-9-11-26(12-10-25)20-24-17-8-3-14(22)13-18(17)29-20/h3-8,13H,9-12H2,1-2H3