butyl 3-[4-(4-chloranylphenoxy)butanoylcarbamothioylamino]benzoate

Systemtic Name: butyl 3-[4-(4-chloranylphenoxy)butanoylcarbamothioylamino]benzoate Openeye Name: butyl 3-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 3-[[[[4-(4-chlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 3-[4-(4-chlorophenoxy)butanoylthiocarbamoylamino]benzoic acid butyl ester Formula: C22H25ClN2O4S MolecularWeight: 448.9629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O4S/c1-2-3-13-29-21(27)16-6-4-7-18(15-16)24-22(30)25-20(26)8-5-14-28-19-11-9-17(23)10-12-19/h4,6-7,9-12,15H,2-3,5,8,13-14H2,1H3,(H2,24,25,26,30)