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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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