ethyl 4,5-dimethyl-2-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[[2-(3-methyl-4-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)COC2=CC(=C(C=C2)C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)COC2=CC(=C(C=C2)C(C)C)C

InChI

InChI=1S/C22H28N2O4S2/c1-7-27-21(26)19-14(5)15(6)30-20(19)24-22(29)23-18(25)11-28-16-8-9-17(12(2)3)13(4)10-16/h8-10,12H,7,11H2,1-6H3,(H2,23,24,25,29)