2-[4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-4-keto-butyl]isoindoline-1,3-quinone Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(N(C1)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H21N3O3S/c27-20(12-6-14-26-22(28)15-7-1-2-8-16(15)23(26)29)25-13-5-10-18(25)21-24-17-9-3-4-11-19(17)30-21/h1-4,7-9,11,18H,5-6,10,12-14H2