2-[2-(1,3-benzodioxol-5-yl)ethanoylamino]-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethanoylamino]-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]amino]-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H21N3O4S/c1-14-4-3-5-15(2)23(14)28-24(30)17-7-8-18-21(12-17)33-25(26-18)27-22(29)11-16-6-9-19-20(10-16)32-13-31-19/h3-10,12H,11,13H2,1-2H3,(H,28,30)(H,26,27,29)