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

Systemtic Name: propan-2-yl 4-[4-[2,4-bis(chloranyl)phenoxy]butanoylcarbamothioylamino]benzoate Openeye Name: isopropyl 4-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 4-[[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 4-[4-(2,4-dichlorophenoxy)butanoylthiocarbamoylamino]benzoic acid isopropyl ester Formula: C21H22Cl2N2O4S MolecularWeight: 469.38138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N2O4S/c1-13(2)29-20(27)14-5-8-16(9-6-14)24-21(30)25-19(26)4-3-11-28-18-10-7-15(22)12-17(18)23/h5-10,12-13H,3-4,11H2,1-2H3,(H2,24,25,26,30)