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

Systemtic Name: 2-(2-acetamidohexanoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(2-acetamidohexanoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[(2-acetamido-1-oxohexyl)amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(2-acetamidohexanoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(2-acetamidohexanoylamino)-N-mesityl-1,3-benzothiazole-6-carboxamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)NC3=C(C=C(C=C3C)C)C)NC(=O)C

Isomeric SMILES

CCCCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)NC3=C(C=C(C=C3C)C)C)NC(=O)C

InChI

InChI=1S/C25H30N4O3S/c1-6-7-8-20(26-17(5)30)24(32)29-25-27-19-10-9-18(13-21(19)33-25)23(31)28-22-15(3)11-14(2)12-16(22)4/h9-13,20H,6-8H2,1-5H3,(H,26,30)(H,28,31)(H,27,29,32)