1-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methoxy-3-methyl-phenyl)ethanone

Systemtic Name: 1-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methoxy-3-methyl-phenyl)ethanone Openeye Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methoxy-3-methyl-phenyl)ethanone CAS Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(4-methoxy-3-methylphenyl)ethanone IUPAC Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone Traditional Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazino]-2-(4-methoxy-3-methyl-phenyl)ethanone Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br)OC

InChI

InChI=1S/C21H22BrN3O2S/c1-14-11-15(3-6-18(14)27-2)12-20(26)24-7-9-25(10-8-24)21-23-17-5-4-16(22)13-19(17)28-21/h3-6,11,13H,7-10,12H2,1-2H3