methyl 2-[[1-adamantylcarbamoyl(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[[1-adamantylcarbamoyl(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[1-adamantylcarbamoyl(isopentyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(1-adamantylamino)-oxomethyl]-(3-methylbutyl)amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-adamantylcarbamoyl(3-methylbutyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[1-adamantylcarbamoyl(isoamyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C22H33N3O3S MolecularWeight: 419.58072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=NC(=CS1)C(=O)OC)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)CCN(CC1=NC(=CS1)C(=O)OC)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H33N3O3S/c1-14(2)4-5-25(12-19-23-18(13-29-19)20(26)28-3)21(27)24-22-9-15-6-16(10-22)8-17(7-15)11-22/h13-17H,4-12H2,1-3H3,(H,24,27)