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

Systemtic Name: 2-(4-methylhexan-2-ylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(1,3-dimethylpentylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[(4-methylhexan-2-ylamino)-oxomethyl]amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(4-methylhexan-2-ylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(1,3-dimethylpentylcarbamoylamino)-N-mesityl-1,3-benzothiazole-6-carboxamide Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O2S/c1-7-14(2)12-18(6)26-24(31)29-25-27-20-9-8-19(13-21(20)32-25)23(30)28-22-16(4)10-15(3)11-17(22)5/h8-11,13-14,18H,7,12H2,1-6H3,(H,28,30)(H2,26,27,29,31)