1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4-bromanyl-indole-2,3-dione

Systemtic Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4-bromanyl-indole-2,3-dione Openeye Name: 1-[[4-(1,3-benzothiazol-2-yl)-1-piperidyl]methyl]-4-bromo-indoline-2,3-dione CAS Name: 1-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]methyl]-4-bromoindole-2,3-dione IUPAC Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4-bromoindole-2,3-dione Traditional Name: 1-[[4-(1,3-benzothiazol-2-yl)piperidino]methyl]-4-bromo-isatin Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)CN4C5=C(C(=CC=C5)Br)C(=O)C4=O

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)CN4C5=C(C(=CC=C5)Br)C(=O)C4=O

InChI

InChI=1S/C21H18BrN3O2S/c22-14-4-3-6-16-18(14)19(26)21(27)25(16)12-24-10-8-13(9-11-24)20-23-15-5-1-2-7-17(15)28-20/h1-7,13H,8-12H2