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

Systemtic Name: 2-[3-[2-(3-methyl-2-oxidanylidene-1,3-benzothiazol-6-yl)ethylamino]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[2-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)ethylamino]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[2-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)ethylamino]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[2-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)ethylamino]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[2-(2-keto-3-methyl-1,3-benzothiazol-6-yl)ethylamino]propyl]isoindoline-1,3-quinone Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CCNCCCN3C(=O)C4=CC=CC=C4C3=O)SC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)CCNCCCN3C(=O)C4=CC=CC=C4C3=O)SC1=O

InChI

InChI=1S/C21H21N3O3S/c1-23-17-8-7-14(13-18(17)28-21(23)27)9-11-22-10-4-12-24-19(25)15-5-2-3-6-16(15)20(24)26/h2-3,5-8,13,22H,4,9-12H2,1H3