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

Systemtic Name: ethyl 2-[2-(1-adamantyl)ethanoylcarbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C20H27N3O3S2/c1-3-26-17(25)16-11(2)21-19(28-16)23-18(27)22-15(24)10-20-7-12-4-13(8-20)6-14(5-12)9-20/h12-14H,3-10H2,1-2H3,(H2,21,22,23,24,27)