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

Systemtic Name: 2-(3-phenylpropanoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(3-phenylpropanoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[(1-oxo-3-phenylpropyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(3-phenylpropanoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(hydrocinnamoylamino)-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)CCC4=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O2S/c1-16-13-17(2)24(18(3)14-16)29-25(31)20-10-11-21-22(15-20)32-26(27-21)28-23(30)12-9-19-7-5-4-6-8-19/h4-8,10-11,13-15H,9,12H2,1-3H3,(H,29,31)(H,27,28,30)