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

Systemtic Name: butyl 3-[4-[2,4-bis(chloranyl)phenoxy]butanoylcarbamothioylamino]benzoate Openeye Name: butyl 3-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 3-[[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 3-[4-(2,4-dichlorophenoxy)butanoylthiocarbamoylamino]benzoic acid butyl ester Formula: C22H24Cl2N2O4S MolecularWeight: 483.40796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24Cl2N2O4S/c1-2-3-11-30-21(28)15-6-4-7-17(13-15)25-22(31)26-20(27)8-5-12-29-19-10-9-16(23)14-18(19)24/h4,6-7,9-10,13-14H,2-3,5,8,11-12H2,1H3,(H2,25,26,27,31)