ethyl 4-methyl-2-(2-methylpropanoylcarbamothioylamino)-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-(2-methylpropanoylcarbamothioylamino)-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-(2-methylpropanoylcarbamothioylamino)thiazole-5-carboxylate CAS Name: 4-methyl-2-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-(2-methylpropanoylcarbamothioylamino)-1,3-thiazole-5-carboxylate Traditional Name: 2-(isobutyrylthiocarbamoylamino)-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C12H17N3O3S2 MolecularWeight: 315.41168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C(C)C)C

InChI

InChI=1S/C12H17N3O3S2/c1-5-18-10(17)8-7(4)13-12(20-8)15-11(19)14-9(16)6(2)3/h6H,5H2,1-4H3,(H2,13,14,15,16,19)