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

Systemtic Name: methyl 2-[[1-adamantylcarbamoyl(propan-2-yl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[1-adamantylcarbamoyl(isopropyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(1-adamantylamino)-oxomethyl]-propan-2-ylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-adamantylcarbamoyl(propan-2-yl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[1-adamantylcarbamoyl(isopropyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3S/c1-12(2)23(10-17-21-16(11-27-17)18(24)26-3)19(25)22-20-7-13-4-14(8-20)6-15(5-13)9-20/h11-15H,4-10H2,1-3H3,(H,22,25)