ethyl 2-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]carbamothioylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[[[2-(3-methyl-4-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]carbamothioylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]thiocarbamoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H27N3O6S2 MolecularWeight: 541.63908

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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(=C(C=C3)C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=S)NC(=O)COC3=CC(=C(C=C3)C(C)C)C

InChI

InChI=1S/C26H27N3O6S2/c1-5-34-25(31)23-21(17-7-6-8-18(12-17)29(32)33)14-37-24(23)28-26(36)27-22(30)13-35-19-9-10-20(15(2)3)16(4)11-19/h6-12,14-15H,5,13H2,1-4H3,(H2,27,28,30,36)