1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(4-bromophenyl)butane-1,4-dione

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(4-bromophenyl)butane-1,4-dione Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-4-(4-bromophenyl)butane-1,4-dione CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-4-(4-bromophenyl)butane-1,4-dione IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-(4-bromophenyl)butane-1,4-dione Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-4-(4-bromophenyl)butane-1,4-dione Formula: C22H21BrN2O2S MolecularWeight: 457.38334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H21BrN2O2S/c23-17-7-5-15(6-8-17)19(26)9-10-21(27)25-13-11-16(12-14-25)22-24-18-3-1-2-4-20(18)28-22/h1-8,16H,9-14H2