propyl 4-[4-(4-chloranylphenoxy)butanoylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[4-(4-chloranylphenoxy)butanoylcarbamothioylamino]benzoate Openeye Name: propyl 4-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 4-[[[[4-(4-chlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 4-[4-(4-chlorophenoxy)butanoylthiocarbamoylamino]benzoic acid propyl ester Formula: C21H23ClN2O4S MolecularWeight: 434.93632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O4S/c1-2-13-28-20(26)15-5-9-17(10-6-15)23-21(29)24-19(25)4-3-14-27-18-11-7-16(22)8-12-18/h5-12H,2-4,13-14H2,1H3,(H2,23,24,25,29)