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

Systemtic Name: pentyl 4-[4-[2,4-bis(chloranyl)phenoxy]butanoylcarbamothioylamino]benzoate Openeye Name: pentyl 4-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 4-[[[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 4-[4-(2,4-dichlorophenoxy)butanoylthiocarbamoylamino]benzoic acid amyl ester Formula: C23H26Cl2N2O4S MolecularWeight: 497.43454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26Cl2N2O4S/c1-2-3-4-13-31-22(29)16-7-10-18(11-8-16)26-23(32)27-21(28)6-5-14-30-20-12-9-17(24)15-19(20)25/h7-12,15H,2-6,13-14H2,1H3,(H2,26,27,28,32)