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

Systemtic Name: 2-methylpropyl 4-[4-[2,4-bis(chloranyl)phenoxy]butanoylcarbamothioylamino]benzoate Openeye Name: isobutyl 4-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 4-[[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 4-[4-(2,4-dichlorophenoxy)butanoylthiocarbamoylamino]benzoic acid isobutyl ester Formula: C22H24Cl2N2O4S MolecularWeight: 483.40796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24Cl2N2O4S/c1-14(2)13-30-21(28)15-5-8-17(9-6-15)25-22(31)26-20(27)4-3-11-29-19-10-7-16(23)12-18(19)24/h5-10,12,14H,3-4,11,13H2,1-2H3,(H2,25,26,27,31)