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

Systemtic Name: methyl 2-[[1-adamantylcarbamoyl(cyclohexyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[1-adamantylcarbamoyl(cyclohexyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(1-adamantylamino)-oxomethyl]-cyclohexylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-adamantylcarbamoyl(cyclohexyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[1-adamantylcarbamoyl(cyclohexyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C23H33N3O3S MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O3S/c1-29-21(27)19-14-30-20(24-19)13-26(18-5-3-2-4-6-18)22(28)25-23-10-15-7-16(11-23)9-17(8-15)12-23/h14-18H,2-13H2,1H3,(H,25,28)