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

Systemtic Name: ethyl 4-methyl-2-[(3-nitrophenyl)carbonylcarbamothioylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[(3-nitrobenzoyl)carbamothioylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(3-nitrobenzoyl)carbamothioylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[(3-nitrobenzoyl)thiocarbamoylamino]thiazole-5-carboxylic acid ethyl ester Formula: C15H14N4O5S2 MolecularWeight: 394.42546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O5S2/c1-3-24-13(21)11-8(2)16-15(26-11)18-14(25)17-12(20)9-5-4-6-10(7-9)19(22)23/h4-7H,3H2,1-2H3,(H2,16,17,18,20,25)