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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O2S/c1-6-8-19(9-7-2)26-24(31)29-25-27-20-11-10-18(14-21(20)32-25)23(30)28-22-16(4)12-15(3)13-17(22)5/h10-14,19H,6-9H2,1-5H3,(H,28,30)(H2,26,27,29,31)