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

Systemtic Name: propyl 3-[4-[2,4-bis(chloranyl)phenoxy]butanoylcarbamothioylamino]benzoate Openeye Name: propyl 3-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 3-[[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 3-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 3-[4-(2,4-dichlorophenoxy)butanoylthiocarbamoylamino]benzoic acid propyl ester Formula: C21H22Cl2N2O4S MolecularWeight: 469.38138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N2O4S/c1-2-10-29-20(27)14-5-3-6-16(12-14)24-21(30)25-19(26)7-4-11-28-18-9-8-15(22)13-17(18)23/h3,5-6,8-9,12-13H,2,4,7,10-11H2,1H3,(H2,24,25,26,30)