2-[4-[2-(2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethylamino]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[2-(2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethylamino]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[2-(2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[2-(2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[2-(2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[2-(2-keto-3H-1,3-benzothiazol-7-yl)ethylamino]butyl]isoindoline-1,3-quinone Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCNCCC3=C4C(=CC=C3)NC(=O)S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCNCCC3=C4C(=CC=C3)NC(=O)S4

InChI

InChI=1S/C21H21N3O3S/c25-19-15-7-1-2-8-16(15)20(26)24(19)13-4-3-11-22-12-10-14-6-5-9-17-18(14)28-21(27)23-17/h1-2,5-9,22H,3-4,10-13H2,(H,23,27)