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

Systemtic Name: 1-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(3-methoxyphenoxy)ethanone Openeye Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(3-methoxyphenoxy)ethanone CAS Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(3-methoxyphenoxy)ethanone IUPAC Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(3-methoxyphenoxy)ethanone Traditional Name: 1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazino]-2-(3-methoxyphenoxy)ethanone Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

COC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C20H20BrN3O3S/c1-26-15-3-2-4-16(12-15)27-13-19(25)23-7-9-24(10-8-23)20-22-17-6-5-14(21)11-18(17)28-20/h2-6,11-12H,7-10,13H2,1H3