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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide Formula: C26H23N3O4S MolecularWeight: 473.54352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CCC4=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)CCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H23N3O4S/c1-15-4-3-5-16(2)24(15)29-25(31)18-8-9-19-22(13-18)34-26(27-19)28-23(30)11-7-17-6-10-20-21(12-17)33-14-32-20/h3-6,8-10,12-13H,7,11,14H2,1-2H3,(H,29,31)(H,27,28,30)