2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CN(C)CC3=NC4=CC=CC=C4S3)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CN(C)CC3=NC4=CC=CC=C4S3)OCO2

InChI

InChI=1S/C20H19N3O4S/c1-12(24)13-7-16-17(27-11-26-16)8-15(13)21-19(25)9-23(2)10-20-22-14-5-3-4-6-18(14)28-20/h3-8H,9-11H2,1-2H3,(H,21,25)