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

Systemtic Name: 2-[3-[4-(3-methyl-2-oxidanylidene-1,3-benzothiazol-6-yl)butylamino]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butylamino]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butylamino]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)butylamino]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(2-keto-3-methyl-1,3-benzothiazol-6-yl)butylamino]propyl]isoindoline-1,3-quinone Formula: C23H25N3O3S MolecularWeight: 423.5279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CCCCNCCCN3C(=O)C4=CC=CC=C4C3=O)SC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)CCCCNCCCN3C(=O)C4=CC=CC=C4C3=O)SC1=O

InChI

InChI=1S/C23H25N3O3S/c1-25-19-11-10-16(15-20(19)30-23(25)29)7-4-5-12-24-13-6-14-26-21(27)17-8-2-3-9-18(17)22(26)28/h2-3,8-11,15,24H,4-7,12-14H2,1H3