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

Systemtic Name: propyl 3-[4-(4-chloranylphenoxy)butanoylcarbamothioylamino]benzoate Openeye Name: propyl 3-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 3-[[[[4-(4-chlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 3-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 3-[4-(4-chlorophenoxy)butanoylthiocarbamoylamino]benzoic acid propyl ester Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O4S/c1-2-12-28-20(26)15-5-3-6-17(14-15)23-21(29)24-19(25)7-4-13-27-18-10-8-16(22)9-11-18/h3,5-6,8-11,14H,2,4,7,12-13H2,1H3,(H2,23,24,25,29)