ethyl 3-[4-[2,4-bis(chloranyl)phenoxy]butanoylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[4-[2,4-bis(chloranyl)phenoxy]butanoylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 3-[[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 3-[4-(2,4-dichlorophenoxy)butanoylthiocarbamoylamino]benzoic acid ethyl ester Formula: C20H20Cl2N2O4S MolecularWeight: 455.3548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20Cl2N2O4S/c1-2-27-19(26)13-5-3-6-15(11-13)23-20(29)24-18(25)7-4-10-28-17-9-8-14(21)12-16(17)22/h3,5-6,8-9,11-12H,2,4,7,10H2,1H3,(H2,23,24,25,29)