ethyl 4-methyl-2-[(2-methyl-3-nitro-phenyl)carbonylcarbamothioylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(2-methyl-3-nitro-phenyl)carbonylcarbamothioylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[(2-methyl-3-nitro-benzoyl)carbamothioylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(2-methyl-3-nitrobenzoyl)carbamothioylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[(2-methyl-3-nitro-benzoyl)thiocarbamoylamino]thiazole-5-carboxylic acid ethyl ester Formula: C16H16N4O5S2 MolecularWeight: 408.45204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C16H16N4O5S2/c1-4-25-14(22)12-9(3)17-16(27-12)19-15(26)18-13(21)10-6-5-7-11(8(10)2)20(23)24/h5-7H,4H2,1-3H3,(H2,17,18,19,21,26)