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2-[4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]butyl]isoindole-1,3-dione

2-[4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]butyl]isoindole-1,3-dione

Systemtic Name:2-[4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]butyl]isoindole-1,3-dione
Openeye Name:2-[4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]butyl]isoindoline-1,3-dione
CAS Name:2-[4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]butyl]isoindole-1,3-dione
IUPAC Name:2-[4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]butyl]isoindole-1,3-dione
Traditional Name:2-[4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]butyl]isoindoline-1,3-quinone
Formula: C21H21N3O2S
MolecularWeight: 379.47534
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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCN1C(=O)C2=CC=CC=C2C1=O)CC3=NC4=CC=CC=C4S3


Isomeric SMILES

CN(CCCCN1C(=O)C2=CC=CC=C2C1=O)CC3=NC4=CC=CC=C4S3


InChI

InChI=1S/C21H21N3O2S/c1-23(14-19-22-17-10-4-5-11-18(17)27-19)12-6-7-13-24-20(25)15-8-2-3-9-16(15)21(24)26/h2-5,8-11H,6-7,12-14H2,1H3


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