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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CCN4C(=O)C5=C(C4=O)C=C(C=C5)Br

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CCN4C(=O)C5=C(C4=O)C=C(C=C5)Br

InChI

InChI=1S/C23H20BrN3O3S/c24-15-5-6-16-17(13-15)23(30)27(22(16)29)12-9-20(28)26-10-7-14(8-11-26)21-25-18-3-1-2-4-19(18)31-21/h1-6,13-14H,7-12H2