2-[3-[2-(3-methyl-2-oxidanylidene-1,3-benzothiazol-6-yl)ethyl-propyl-amino]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[2-(3-methyl-2-oxidanylidene-1,3-benzothiazol-6-yl)ethyl-propyl-amino]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[2-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)ethyl-propyl-amino]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[2-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)ethyl-propylamino]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[2-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)ethyl-propylamino]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[2-(2-keto-3-methyl-1,3-benzothiazol-6-yl)ethyl-propyl-amino]propyl]isoindoline-1,3-quinone Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCN1C(=O)C2=CC=CC=C2C1=O)CCC3=CC4=C(C=C3)N(C(=O)S4)C

Isomeric SMILES

CCCN(CCCN1C(=O)C2=CC=CC=C2C1=O)CCC3=CC4=C(C=C3)N(C(=O)S4)C

InChI

InChI=1S/C24H27N3O3S/c1-3-12-26(15-11-17-9-10-20-21(16-17)31-24(30)25(20)2)13-6-14-27-22(28)18-7-4-5-8-19(18)23(27)29/h4-5,7-10,16H,3,6,11-15H2,1-2H3