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

Systemtic Name: methyl 3-[4-[2,4-bis(chloranyl)phenoxy]butanoylcarbamothioylamino]benzoate Openeye Name: methyl 3-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 3-[[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 3-[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=C1)NC(=S)NC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

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

InChI

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