propyl 4-[[5-bromanyl-2-(2-methoxyethoxy)phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[[5-bromanyl-2-(2-methoxyethoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[[5-bromo-2-(2-methoxyethoxy)benzoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[[5-bromo-2-(2-methoxyethoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[5-bromo-2-(2-methoxyethoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-[[5-bromo-2-(2-methoxyethoxy)benzoyl]thiocarbamoylamino]benzoic acid propyl ester Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCOC

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCOC

InChI

InChI=1S/C21H23BrN2O5S/c1-3-10-29-20(26)14-4-7-16(8-5-14)23-21(30)24-19(25)17-13-15(22)6-9-18(17)28-12-11-27-2/h4-9,13H,3,10-12H2,1-2H3,(H2,23,24,25,30)