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

Systemtic Name: 2-[4-[2-(3-methyl-2-oxidanylidene-1,3-benzothiazol-6-yl)ethyl-propyl-amino]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[2-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)ethyl-propyl-amino]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[2-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)ethyl-propylamino]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[2-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)ethyl-propylamino]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[2-(2-keto-3-methyl-1,3-benzothiazol-6-yl)ethyl-propyl-amino]butyl]isoindoline-1,3-quinone Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCN1C(=O)C2=CC=CC=C2C1=O)CCC3=CC4=C(C=C3)N(C(=O)S4)C

Isomeric SMILES

CCCN(CCCCN1C(=O)C2=CC=CC=C2C1=O)CCC3=CC4=C(C=C3)N(C(=O)S4)C

InChI

InChI=1S/C25H29N3O3S/c1-3-13-27(16-12-18-10-11-21-22(17-18)32-25(31)26(21)2)14-6-7-15-28-23(29)19-8-4-5-9-20(19)24(28)30/h4-5,8-11,17H,3,6-7,12-16H2,1-2H3