2-[4-[2-(2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethyl-propyl-amino]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[2-(2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethyl-propyl-amino]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[2-(2-oxo-3H-1,3-benzothiazol-7-yl)ethyl-propyl-amino]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[2-(2-oxo-3H-1,3-benzothiazol-7-yl)ethyl-propylamino]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[2-(2-oxo-3H-1,3-benzothiazol-7-yl)ethyl-propylamino]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[2-(2-keto-3H-1,3-benzothiazol-7-yl)ethyl-propyl-amino]butyl]isoindoline-1,3-quinone Formula: C24H27N3O3S MolecularWeight: 437.55448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCN1C(=O)C2=CC=CC=C2C1=O)CCC3=C4C(=CC=C3)NC(=O)S4

Isomeric SMILES

CCCN(CCCCN1C(=O)C2=CC=CC=C2C1=O)CCC3=C4C(=CC=C3)NC(=O)S4

InChI

InChI=1S/C24H27N3O3S/c1-2-13-26(16-12-17-8-7-11-20-21(17)31-24(30)25-20)14-5-6-15-27-22(28)18-9-3-4-10-19(18)23(27)29/h3-4,7-11H,2,5-6,12-16H2,1H3,(H,25,30)