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

Systemtic Name: 2-[2-[2-(2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethyl-propyl-amino]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[2-(2-oxo-3H-1,3-benzothiazol-7-yl)ethyl-propyl-amino]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[2-(2-oxo-3H-1,3-benzothiazol-7-yl)ethyl-propylamino]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[2-(2-oxo-3H-1,3-benzothiazol-7-yl)ethyl-propylamino]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[2-(2-keto-3H-1,3-benzothiazol-7-yl)ethyl-propyl-amino]ethyl]isoindoline-1,3-quinone Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC1=C2C(=CC=C1)NC(=O)S2)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCN(CCC1=C2C(=CC=C1)NC(=O)S2)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H23N3O3S/c1-2-11-24(12-10-15-6-5-9-18-19(15)29-22(28)23-18)13-14-25-20(26)16-7-3-4-8-17(16)21(25)27/h3-9H,2,10-14H2,1H3,(H,23,28)