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

Systemtic Name: 2-[4-[4-(3-methyl-2-oxidanylidene-1,3-benzothiazol-6-yl)butylamino]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butylamino]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butylamino]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butylamino]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(2-keto-3-methyl-1,3-benzothiazol-6-yl)butylamino]butyl]isoindoline-1,3-quinone Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CCCCNCCCCN3C(=O)C4=CC=CC=C4C3=O)SC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)CCCCNCCCCN3C(=O)C4=CC=CC=C4C3=O)SC1=O

InChI

InChI=1S/C24H27N3O3S/c1-26-20-12-11-17(16-21(20)31-24(26)30)8-4-5-13-25-14-6-7-15-27-22(28)18-9-2-3-10-19(18)23(27)29/h2-3,9-12,16,25H,4-8,13-15H2,1H3