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

Systemtic Name: ethyl 2-[[1-adamantylcarbamoyl(cyclohexyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[1-adamantylcarbamoyl(cyclohexyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(1-adamantylamino)-oxomethyl]-cyclohexylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-adamantylcarbamoyl(cyclohexyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[1-adamantylcarbamoyl(cyclohexyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C24H35N3O3S MolecularWeight: 445.618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(C2CCCCC2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H35N3O3S/c1-2-30-22(28)20-15-31-21(25-20)14-27(19-6-4-3-5-7-19)23(29)26-24-11-16-8-17(12-24)10-18(9-16)13-24/h15-19H,2-14H2,1H3,(H,26,29)