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

Systemtic Name: methyl 4-methyl-2-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylcarbamothioylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 4-methyl-2-[(2-morpholino-5-nitro-benzoyl)carbamothioylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(2-morpholin-4-yl-5-nitrobenzoyl)carbamothioylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[(2-morpholino-5-nitro-benzoyl)thiocarbamoylamino]thiazole-5-carboxylic acid methyl ester Formula: C18H19N5O6S2 MolecularWeight: 465.50336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C(=O)OC

InChI

InChI=1S/C18H19N5O6S2/c1-10-14(16(25)28-2)31-18(19-10)21-17(30)20-15(24)12-9-11(23(26)27)3-4-13(12)22-5-7-29-8-6-22/h3-4,9H,5-8H2,1-2H3,(H2,19,20,21,24,30)