2-[1-adamantylcarbamoyl(3-methylbutyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-[1-adamantylcarbamoyl(3-methylbutyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[1-adamantylcarbamoyl(isopentyl)amino]-N-(4-methylthiazol-2-yl)acetamide CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-(3-methylbutyl)amino]-N-(4-methyl-2-thiazolyl)acetamide IUPAC Name: 2-[1-adamantylcarbamoyl(3-methylbutyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide Traditional Name: 2-[1-adamantylcarbamoyl(isoamyl)amino]-N-(4-methylthiazol-2-yl)acetamide Formula: C22H34N4O2S MolecularWeight: 418.59596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)CN(CCC(C)C)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CSC(=N1)NC(=O)CN(CCC(C)C)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H34N4O2S/c1-14(2)4-5-26(12-19(27)24-20-23-15(3)13-29-20)21(28)25-22-9-16-6-17(10-22)8-18(7-16)11-22/h13-14,16-18H,4-12H2,1-3H3,(H,25,28)(H,23,24,27)