2-(3-phenoxypropanoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-(3-phenoxypropanoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(3-phenoxypropanoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[(1-oxo-3-phenoxypropyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(3-phenoxypropanoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-mesityl-2-(3-phenoxypropanoylamino)-1,3-benzothiazole-6-carboxamide Formula: C26H25N3O3S MolecularWeight: 459.56

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CCOC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CCOC4=CC=CC=C4)C

InChI

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