methyl 2-[2-(1-adamantyl)ethanoylcarbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[2-(1-adamantyl)ethanoylcarbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[2-(1-adamantyl)acetyl]carbamothioylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1-adamantyl)acetyl]carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-(1-adamantyl)acetyl]thiocarbamoylamino]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)C(=O)OC

InChI

InChI=1S/C19H25N3O3S2/c1-10-15(16(24)25-2)27-18(20-10)22-17(26)21-14(23)9-19-6-11-3-12(7-19)5-13(4-11)8-19/h11-13H,3-9H2,1-2H3,(H2,20,21,22,23,26)