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

Systemtic Name: 2-(2-phenylpropanoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(2-phenylpropanoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[(1-oxo-2-phenylpropyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(2-phenylpropanoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(hydratropoylamino)-N-mesityl-1,3-benzothiazole-6-carboxamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O2S/c1-15-12-16(2)23(17(3)13-15)28-25(31)20-10-11-21-22(14-20)32-26(27-21)29-24(30)18(4)19-8-6-5-7-9-19/h5-14,18H,1-4H3,(H,28,31)(H,27,29,30)