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

Systemtic Name: ethyl 4-methyl-2-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylcarbamothioylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[(4-morpholino-3-nitro-benzoyl)carbamothioylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(4-morpholin-4-yl-3-nitrobenzoyl)carbamothioylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[(4-morpholino-3-nitro-benzoyl)thiocarbamoylamino]thiazole-5-carboxylic acid ethyl ester Formula: C19H21N5O6S2 MolecularWeight: 479.52994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C

InChI

InChI=1S/C19H21N5O6S2/c1-3-30-17(26)15-11(2)20-19(32-15)22-18(31)21-16(25)12-4-5-13(14(10-12)24(27)28)23-6-8-29-9-7-23/h4-5,10H,3,6-9H2,1-2H3,(H2,20,21,22,25,31)