2-methylpropyl 4-[2-(2,5-dimethylphenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: 2-methylpropyl 4-[2-(2,5-dimethylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: isobutyl 4-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(2,5-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(2,5-dimethylphenoxy)acetyl]thiocarbamoylamino]benzoic acid isobutyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC(C)C

InChI

InChI=1S/C22H26N2O4S/c1-14(2)12-28-21(26)17-7-9-18(10-8-17)23-22(29)24-20(25)13-27-19-11-15(3)5-6-16(19)4/h5-11,14H,12-13H2,1-4H3,(H2,23,24,25,29)