2-[1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-5-bromanyl-isoindole-1,3-dione

Systemtic Name: 2-[1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-5-bromanyl-isoindole-1,3-dione Openeye Name: 2-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-1-methyl-2-oxo-ethyl]-5-bromo-isoindoline-1,3-dione CAS Name: 2-[1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-1-oxopropan-2-yl]-5-bromoisoindole-1,3-dione IUPAC Name: 2-[1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]-5-bromoisoindole-1,3-dione Traditional Name: 2-[2-[4-(1,3-benzothiazol-2-yl)piperidino]-2-keto-1-methyl-ethyl]-5-bromo-isoindoline-1,3-quinone Formula: C23H20BrN3O3S MolecularWeight: 498.3922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2)N4C(=O)C5=C(C4=O)C=C(C=C5)Br

Isomeric SMILES

CC(C(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2)N4C(=O)C5=C(C4=O)C=C(C=C5)Br

InChI

InChI=1S/C23H20BrN3O3S/c1-13(27-22(29)16-7-6-15(24)12-17(16)23(27)30)21(28)26-10-8-14(9-11-26)20-25-18-4-2-3-5-19(18)31-20/h2-7,12-14H,8-11H2,1H3