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

Systemtic Name: 2-(octan-2-ylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(1-methylheptylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[(octan-2-ylamino)-oxomethyl]amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(octan-2-ylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-mesityl-2-(1-methylheptylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Formula: C26H34N4O2S MolecularWeight: 466.63876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O2S/c1-6-7-8-9-10-19(5)27-25(32)30-26-28-21-12-11-20(15-22(21)33-26)24(31)29-23-17(3)13-16(2)14-18(23)4/h11-15,19H,6-10H2,1-5H3,(H,29,31)(H2,27,28,30,32)