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

Systemtic Name: methyl 4-[4-[2,4-bis(chloranyl)phenoxy]butanoylcarbamothioylamino]benzoate Openeye Name: methyl 4-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 4-[[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 4-[4-(2,4-dichlorophenoxy)butanoylthiocarbamoylamino]benzoic acid methyl ester Formula: C19H18Cl2N2O4S MolecularWeight: 441.32822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18Cl2N2O4S/c1-26-18(25)12-4-7-14(8-5-12)22-19(28)23-17(24)3-2-10-27-16-9-6-13(20)11-15(16)21/h4-9,11H,2-3,10H2,1H3,(H2,22,23,24,28)