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

Systemtic Name: 1-[4-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylphenyl]ethanone Openeye Name: 1-[4-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]ethanone CAS Name: 1-[4-[[4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]ethanone Traditional Name: 1-[4-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]ethanone Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O2S/c1-13(25)14-2-4-15(5-3-14)19(26)23-8-10-24(11-9-23)20-22-17-7-6-16(21)12-18(17)27-20/h2-7,12H,8-11H2,1H3