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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C19H18Cl2N2O4S/c1-26-18(25)13-5-2-3-6-15(13)22-19(28)23-17(24)7-4-10-27-16-9-8-12(20)11-14(16)21/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H2,22,23,24,28)