2-[4-[2-(3-methyl-2-oxidanylidene-1,3-benzothiazol-6-yl)ethylamino]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[2-(3-methyl-2-oxidanylidene-1,3-benzothiazol-6-yl)ethylamino]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[2-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)ethylamino]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[2-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)ethylamino]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[2-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)ethylamino]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[2-(2-keto-3-methyl-1,3-benzothiazol-6-yl)ethylamino]butyl]isoindoline-1,3-quinone Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CCNCCCCN3C(=O)C4=CC=CC=C4C3=O)SC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)CCNCCCCN3C(=O)C4=CC=CC=C4C3=O)SC1=O

InChI

InChI=1S/C22H23N3O3S/c1-24-18-9-8-15(14-19(18)29-22(24)28)10-12-23-11-4-5-13-25-20(26)16-6-2-3-7-17(16)21(25)27/h2-3,6-9,14,23H,4-5,10-13H2,1H3