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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCC1=CC2=C(C=C1)N(C(=O)S2)C)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCN(CCCCC1=CC2=C(C=C1)N(C(=O)S2)C)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

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