N-(2,6-dimethylphenyl)-2-[3-(3-methoxyphenyl)propanoylamino]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[3-(3-methoxyphenyl)propanoylamino]-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2,6-dimethylphenyl)-2-[3-(3-methoxyphenyl)propanoylamino]-1,3-benzothiazole-6-carboxamide CAS Name: N-(2,6-dimethylphenyl)-2-[[3-(3-methoxyphenyl)-1-oxopropyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[3-(3-methoxyphenyl)propanoylamino]-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2,6-dimethylphenyl)-2-[3-(3-methoxyphenyl)propanoylamino]-1,3-benzothiazole-6-carboxamide Formula: C26H25N3O3S MolecularWeight: 459.56

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=CC(=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O3S/c1-16-6-4-7-17(2)24(16)29-25(31)19-11-12-21-22(15-19)33-26(27-21)28-23(30)13-10-18-8-5-9-20(14-18)32-3/h4-9,11-12,14-15H,10,13H2,1-3H3,(H,29,31)(H,27,28,30)