2-methylpropyl 4-[4-(4-chloranylphenoxy)butanoylcarbamothioylamino]benzoate

Systemtic Name: 2-methylpropyl 4-[4-(4-chloranylphenoxy)butanoylcarbamothioylamino]benzoate Openeye Name: isobutyl 4-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 4-[[[[4-(4-chlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 4-[4-(4-chlorophenoxy)butanoylthiocarbamoylamino]benzoic acid isobutyl ester Formula: C22H25ClN2O4S MolecularWeight: 448.9629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCCOC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H25ClN2O4S/c1-15(2)14-29-21(27)16-5-9-18(10-6-16)24-22(30)25-20(26)4-3-13-28-19-11-7-17(23)8-12-19/h5-12,15H,3-4,13-14H2,1-2H3,(H2,24,25,26,30)