ethyl 4-(3-nitrophenyl)-2-[2-(2-propan-2-ylphenoxy)ethanoylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3-nitrophenyl)-2-[2-(2-propan-2-ylphenoxy)ethanoylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-isopropylphenoxy)acetyl]carbamothioylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 4-(3-nitrophenyl)-2-[[[[1-oxo-2-(2-propan-2-ylphenoxy)ethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-nitrophenyl)-2-[[2-(2-propan-2-ylphenoxy)acetyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-[[2-(2-isopropylphenoxy)acetyl]thiocarbamoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H25N3O6S2 MolecularWeight: 527.6125

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=S)NC(=O)COC3=CC=CC=C3C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=S)NC(=O)COC3=CC=CC=C3C(C)C

InChI

InChI=1S/C25H25N3O6S2/c1-4-33-24(30)22-19(16-8-7-9-17(12-16)28(31)32)14-36-23(22)27-25(35)26-21(29)13-34-20-11-6-5-10-18(20)15(2)3/h5-12,14-15H,4,13H2,1-3H3,(H2,26,27,29,35)