ethyl 4-[2-(4-tert-butylphenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[2-(4-tert-butylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-5-27-20(26)15-6-10-17(11-7-15)23-21(29)24-19(25)14-28-18-12-8-16(9-13-18)22(2,3)4/h6-13H,5,14H2,1-4H3,(H2,23,24,25,29)